The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase. It is a conjugate acid of adenosine 5'-tetraphosphate(5-) . It is also related to or classified as purine ribonucleoside 5'-tetraphosphate , adenosine 5'-phosphate .


The molecule <smiles>CC(C)=CCC\C(C)=C\C=C</smiles> <smiles>CC(C)=CCC\C(C)=C\C=C</smiles> is an alkatriene consisting of 4,8-dimethylnonane having the three double bonds in the 1-, 3- and 7-positions. It is also related to or classified as alkatriene  .


The molecule <smiles>NC1=NC=CC2=C1N=C(SC3=C(N(C)C)C=C4OCOC4=C3)N2CCNCC(C)(C)C</smiles> <smiles>NC1=NC=CC2=C1N=C(SC3=C(N(C)C)C=C4OCOC4=C3)N2CCNCC(C)(C)C</smiles> is A novel heat shock protein (HSP) 90 inhibitor; HSP90 is a chaperone that promotes the activity of a wide range of client proteins including key proinflammatory molecules involved in aberrant inflammation. RGRN-305 can target HSP90 as a novel mechanism of action in treating multiple immune-mediated inflammatory skin diseases. It is also related to or classified as organic molecular entity .


The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)C(O)=O</smiles> <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)C(O)=O</smiles> is Feruloyl C1-glucuronide. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .


The molecule <smiles>CCSCCSP(=S)(OC)OC</smiles> <smiles>CCSCCSP(=S)(OC)OC</smiles> is thiometon. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 2-(ethylsulfanyl)ethanethiol . It is also related to or classified as organothiophosphate insecticide , organosulfur compound , organic thiophosphate .


The molecule <smiles>OC=1NC(=O)C=C(C1)C(O)=O</smiles> <smiles>OC=1NC(=O)C=C(C1)C(O)=O</smiles> is CITRAZINIC ACID. It is also related to or classified as pyridines , aromatic carboxylic acid .


The molecule <smiles>FC(F)OC(Cl)C(F)(F)F</smiles> <smiles>FC(F)OC(Cl)C(F)(F)F</smiles> is isoflurane. It has the role of inhalation anaesthetic . Its functional parent is methoxyethane . It is also related to or classified as organofluorine compound  .


The molecule <smiles>NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(N)O)[C@@H](O)[C@H]3O</smiles> <smiles>NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(N)O)[C@@H](O)[C@H]3O</smiles> is the phosphoramadite analogue of AMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate . It is a conjugate acid of adenosine 5'-phosphoramidate(1-) . It is also related to or classified as organic phosphoramidate .


The molecule <smiles>O=C(OC[C@@H](O)CO)C1=C(O)C(=CC=C1C)C</smiles> <smiles>O=C(OC[C@@H](O)CO)C1=C(O)C(=CC=C1C)C</smiles> is Glycerol 1-hydroxy-2,5-dimethyl benzoate. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>CCOP(=S)(OCC)OP(=S)(OCC)OCC</smiles> <smiles>CCOP(=S)(OCC)OP(=S)(OCC)OCC</smiles> is sulfotep. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is dithiodiphosphoric acid . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .


The molecule <smiles>[H]C(CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])COP(O)(=O)OP(O)(O)=O)=C(C)CCC=C(C)C</smiles> <smiles>[H]C(CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])COP(O)(=O)OP(O)(O)=O)=C(C)CCC=C(C)C</smiles> is A polyprenol diphosphate compound having five prenyl units with undefined stereochemistry about the double bonds. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as polyprenyl diphosphate .


The molecule <smiles>[NH4+].[NH4+].Cl[Pd--](Cl)(Cl)Cl</smiles> <smiles>[NH4+].[NH4+].Cl[Pd--](Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and square planar [PdCl4](2-) anions. It is also related to or classified as ammonium salt .


The molecule <smiles>[H]C(=O)c1ccccc1O</smiles> <smiles>[H]C(=O)c1ccccc1O</smiles> is A hydroxybenzaldehyde carrying a hydroxy substituent at position 2. It has the role of nematicide . It has the role of plant metabolite . It is also related to or classified as hydroxybenzaldehyde  .


The molecule <smiles>Cl.CC(C)NCC(Cl)C1=CC2=CC=CC=C2C=C1</smiles> <smiles>Cl.CC(C)NCC(Cl)C1=CC2=CC=CC=C2C=C1</smiles> is A hydrochloride obtained by combining N-[2-chloro-2-(naphthalen-2-yl)ethyl]propan-2-amine with one molar equivalent of hydrochloric acid. It has the role of mutagen . It is also related to or classified as hydrochloride .


The molecule <smiles>CCOP(=S)(OCC)Oc1ncn(n1)-c1ccccc1</smiles> <smiles>CCOP(=S)(OCC)Oc1ncn(n1)-c1ccccc1</smiles> is triazophos. It has the role of acaricide . It has the role of nematicide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 1-phenyl-1H-1,2,4-triazol-3-ol . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .


The molecule <smiles>[NH4+].[NH4+].Cl[Pt--](Cl)(Cl)Cl</smiles> <smiles>[NH4+].[NH4+].Cl[Pt--](Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and square planar [PtCl4](2-) anions. It is also related to or classified as ammonium salt .


The molecule <smiles>[H]C(CC(=O)c1ccccc1)=CC(=O)C(O)=O</smiles> <smiles>[H]C(CC(=O)c1ccccc1)=CC(=O)C(O)=O</smiles> is A dioxo monocarboxylic acid that is 6-phenylhexa-3-enoic acid bearing oxo substituents at positions 2 and 6. It is a conjugate acid of 2,6-dioxo-6-phenylhexa-3-enoate .  It is also related to or classified as enone  . It is also related to or classified as dioxo monocarboxylic acid , aromatic ketone .


The molecule <smiles>CC(N)C(N)CCCCCC(O)=O</smiles> <smiles>CC(N)C(N)CCCCCC(O)=O</smiles> is an amino fatty acid carrying amino substituents at positions 7 and 8. Some of its isomers are naturally occurring intermediates of biotin synthesis, and targets of antimicrobial and herbicide development. Its functional parent is nonanoic acid . It is a conjugate acid of 7,8-diaminononanoate . It is also related to or classified as amino monocarboxylic acid , amino fatty acid .


The molecule <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C6(C)C)[H])[H])C</smiles> <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C6(C)C)[H])[H])C</smiles> is mogroside III. It has the role of plant metabolite .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside .


The molecule <smiles>[NH3+][C@@H](C[SeH])C(O)=O</smiles> <smiles>[NH3+][C@@H](C[SeH])C(O)=O</smiles> is A selenocysteinium that has L configuration. It is a conjugate acid of L-selenocysteine . It is also related to or classified as selenocysteinium  .


The molecule <smiles>O[C@@H]1CC2C(N[C@H]1C)CCC[C@@H]2CCCC[C@@H](O)CCC</smiles> <smiles>O[C@@H]1CC2C(N[C@H]1C)CCC[C@@H]2CCCC[C@@H](O)CCC</smiles> is Lepadin D. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .


The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O</smiles> is an adenosine bisphosphate having two monophosphate groups at the 3'- and 5'-positions. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of adenosine 3',5'-bismonophosphate(4-) . It is also related to or classified as adenosine bisphosphate .


The molecule <smiles>Cl[Rh--](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>Cl[Rh--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and rhodium(IV) as the metal component. It is also related to or classified as rhodium coordination entity , perchlorometallate anion .


The molecule <smiles>OC[C@@H](OP([O-])([O-])=O)C([O-])=O</smiles> <smiles>OC[C@@H](OP([O-])([O-])=O)C([O-])=O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate OH and carboxy groups of 2-phospho-D-glyceric acid; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as hydroxy monocarboxylic acid anion , organophosphate oxoanion .


The molecule <smiles>O(C=1C=C(CCNCCCC(C2=CC(OC)=C(OC)C=C2)(C(C)C)C#N)C=CC1OC)C</smiles> <smiles>O(C=1C=C(CCNCCCC(C2=CC(OC)=C(OC)C=C2)(C(C)C)C#N)C=CC1OC)C</smiles> is A secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is also related to or classified as nitrile  .  It is also related to or classified as polyether  . It is also related to or classified as aromatic ether , secondary amino compound .


The molecule <smiles>COCOC</smiles> <smiles>COCOC</smiles> is an  acetal that is the dimethyl acetal derivative of formaldehyde. Its functional parent is methanediol . It is also related to or classified as diether , acetal .


The molecule <smiles>O1[C@@H](OC=2C([C@]3(OC4=C(C(=O)C3)C(O)=CC(OC)=C4OC)[H])=C(OC)C=CC2)C(O)[C@@H](O)[C@H](O)C1C(O)=O</smiles> <smiles>O1[C@@H](OC=2C([C@]3(OC4=C(C(=O)C3)C(O)=CC(OC)=C4OC)[H])=C(OC)C=CC2)C(O)[C@@H](O)[C@H](O)C1C(O)=O</smiles> is 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>C(C(O)=O)C/C=C\C/C=C\C\C=C/C=C/C(C/C=C\C/C=C\CC)O</smiles> <smiles>C(C(O)=O)C/C=C\C/C=C\C\C=C/C=C/C(C/C=C\C/C=C\CC)O</smiles> is A hydroxydocosahexaenoic acid that consists of (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid bearing an additional 14-hydroxy substituent. It has the role of human xenobiotic metabolite . It is a conjugate acid of 14-HDoHE(1-) . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as hydroxydocosahexaenoic acid .


The molecule <smiles>[NH4+].[NH4+].Cl[Rh--](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>[NH4+].[NH4+].Cl[Rh--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and octahedral [RhCl6](3-) anions. It is also related to or classified as ammonium salt .


The molecule <smiles>C(\CC)=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\CCCC(=O)[O-])OO</smiles> <smiles>C(\CC)=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\CCCC(=O)[O-])OO</smiles> is (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate in which the 8-hydroperoxy group has R-configuration. It is also related to or classified as (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate  .


The molecule <smiles>S(OC1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(OC)C=C3)(O)(=O)=O</smiles> <smiles>S(OC1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(OC)C=C3)(O)(=O)=O</smiles> is Kaempferide 3-O-sulfate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=CC=C(O)C=C2)CO</smiles> <smiles>O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=CC=C(O)C=C2)CO</smiles> is 1-O-p-Coumaroyl-beta-D-glucose. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .


The molecule <smiles>Cl[Ru--](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>Cl[Ru--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and ruthenium(IV) as the metal component. It is also related to or classified as ruthenium coordination entity , perchlorometallate anion .


The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> is A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. It has the role of analgesic . It has the role of vasodilator agent . It has the role of anti-arrhythmia drug . It has the role of human metabolite . It has the role of fundamental metabolite . Its functional parent is adenine . It is also related to or classified as purines D-ribonucleoside  . It is also related to or classified as adenosines .


The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O</smiles> <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl and icosanoyl respectively. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is hexadecanoic acid . Its functional parent is icosanoic acid . It is also related to or classified as phosphatidylethanolamine 36:0  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>[NH4+].[NH4+].Cl[Ru--](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>[NH4+].[NH4+].Cl[Ru--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and octahedral [RuCl6](2-) anions. It is also related to or classified as ammonium salt .


The molecule <smiles>CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1</smiles> <smiles>CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1</smiles> is d-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. It has the role of antioxidant . It has the role of cofactor . It has the role of photosensitizing agent . It has the role of anti-inflammatory agent . It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It has the role of food colouring . It has the role of fundamental metabolite . It has the role of human urinary metabolite . It is a conjugate acid of riboflavin(1-) .  It is also related to or classified as flavin  . It is also related to or classified as vitamin B2 .


The molecule <smiles>Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O</smiles> <smiles>Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O</smiles> is A purine arabinonucleoside monophosphate having 2-fluoroadenine as the nucleobase. A prodrug, it is rapidly dephosphorylated to 2-fluoro-ara-A and then phosphorylated intracellularly by deoxycytidine kinase to the active triphosphate, 2-fluoro-ara-ATP. Once incorporated into DNA, 2-fluoro-ara-ATP functions as a DNA chain terminator. It is used for the treatment of adult patients with B-cell chronic lymphocytic leukemia (CLL) who have not responded to, or whose disease has progressed during, treatment with at least one standard alkylating-agent containing regimenas. It has the role of antiviral agent . It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of prodrug . It has the role of DNA synthesis inhibitor . Its functional parent is 2-fluoroadenine . It is also related to or classified as organofluorine compound  . It is also related to or classified as purine arabinonucleoside monophosphate , nucleoside analogue .


The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O</smiles> <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as tetradecanoyl and docosanoyl respectively. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is tetradecanoic acid . Its functional parent is docosanoic acid . It is also related to or classified as phosphatidylethanolamine 36:0  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>Cl[Ir--](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>Cl[Ir--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and rhodium(IV) as the metal component. It is also related to or classified as perchlorometallate anion , iridium coordination entity .


The molecule <smiles>[O-][Sb]([O-])[O-]</smiles> <smiles>[O-][Sb]([O-])[O-]</smiles> is A trivalent inorganic anion obtained by removal of all three protons from antimonous acid. It is also related to or classified as antimony oxoanion , trivalent inorganic anion .


The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as octadecanoyl and penttadecanoyl respectively. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is octadecanoic acid . Its functional parent is pentadecanoic acid . It is also related to or classified as phosphatidylcholine 33:0  .


The molecule <smiles>CC(CCC[C@@H]1[C@H](CCC1=O)CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>CC(CCC[C@@H]1[C@H](CCC1=O)CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A monosaccharide derivative that is (-)-11-hydroxy-9,10-dihydrojasmonic acid attached to a beta-D-glucopyranosyl residue at position 11 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is (-)-11-hydroxy-9,10-dihydrojasmonic acid . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as dihydrojasmonic acid , monosaccharide derivative .


The molecule <smiles>C(C(CO)OP(=O)(O)O)(O)=O</smiles> <smiles>C(C(CO)OP(=O)(O)O)(O)=O</smiles> is A monophosphoglyceric acid having the phospho group at the 2-position. Its functional parent is glyceric acid . It is a conjugate acid of 2-phosphoglycerate(3-) . It is also related to or classified as monophosphoglyceric acid , tetronic acid derivative .


The molecule <smiles>O=C(CCC/C=C\C/C=C\CC(/C=C/C(C(CCCCC)O)O)O)O</smiles> <smiles>O=C(CCC/C=C\C/C=C\CC(/C=C/C(C(CCCCC)O)O)O)O</smiles> is A trihydroxyicosatrienoic acid that is (5Z,8Z,12E)-icosatrienoic acid in which the three hydroxy groups are located at positions 11, 14 and 15. It has the role of mouse metabolite . It is a conjugate acid of 11,14,15-trihydroxy-(5Z,8Z,12E)-icosatrienoate(1-) . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as trihydroxyicosatrienoic acid .


The molecule <smiles>[NH4+].[NH4+].Cl[Ir--](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>[NH4+].[NH4+].Cl[Ir--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and octahedral [IrCl6](2-) anions. It is also related to or classified as ammonium salt .


The molecule <smiles>CCOC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@@H](N)CC(C)C</smiles> <smiles>CCOC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@@H](N)CC(C)C</smiles> is an ethyl ester resulting from the formal condensation of the carboxy group of L-leucyl-6-diazo-5-oxo-L-norleucine with ethanol. It is a glutaminase inhibitor and a prodrug of 6-diazo-5-oxo-L-norleucine that exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of prodrug . It has the role of EC 3.5.1.2 (glutaminase) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as ketone  . It is also related to or classified as ethyl ester  . It is also related to or classified as L-leucine derivative , diazo compound .


The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as pentadecanoyl and octadecanoyl respectively. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is octadecanoic acid . Its functional parent is pentadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and rhodium(III) as the metal component. It is also related to or classified as rhodium coordination entity , perchlorometallate anion .


The molecule <smiles>O(C[C@@H](C(=O)O)N)[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO</smiles> <smiles>O(C[C@@H](C(=O)O)N)[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO</smiles> is O-(alpha-D-mannosyl)-L-serine. It is also related to or classified as O-glycosyl-L-serine  . It is also related to or classified as non-proteinogenic L-alpha-amino acid .


The molecule <smiles>c1ccc(cc1)[Sb+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> <smiles>c1ccc(cc1)[Sb+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> is A polyatomic cation consisting of four phenyl groups attached to stibonium. It is also related to or classified as polyatomic cation .


The molecule <smiles>N(C(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]([C@@H](CCCCCCCCCCCCCCC)O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> <smiles>N(C(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]([C@@H](CCCCCCCCCCCCCCC)O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> is an N-octadecenoylsphinganine-1-phosphocholine obtained by formal condensation of the carboxy group of oleic acid with the amino group of sphinganine-1-phosphocholine. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is oleic acid . It is also related to or classified as N-octadecenoylsphinganine-1-phosphocholine  .


The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2)C4=CC=C(O)C=C4)C/C=C(/CO)\C)CO</smiles> <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2)C4=CC=C(O)C=C4)C/C=C(/CO)\C)CO</smiles> is Phellodensin E. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>OCCCCC[C@@H]1[C@H](CCC1=O)CC(O)=O</smiles> <smiles>OCCCCC[C@@H]1[C@H](CCC1=O)CC(O)=O</smiles> is (-)-12-hydroxy-9,10-dihydrojasmonic acid. It is also related to or classified as dihydrojasmonic acid , oxo monocarboxylic acid .


The molecule <smiles>[NH4+].[NH4+].[NH4+].Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>[NH4+].[NH4+].[NH4+].Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and octahedral [RhCl6](3-) anions. It is also related to or classified as ammonium salt .


The molecule <smiles>CCCCOC(=O)c1ccc([NH3+])cc1</smiles> <smiles>CCCCOC(=O)c1ccc([NH3+])cc1</smiles> is an ammonium ion resulting from the protonation of the amino group of butamben. It is a conjugate acid of butamben . It is also related to or classified as ammonium ion derivative .


The molecule <smiles>C(CCCCCCCCCC)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> <smiles>C(CCCCCCCCCC)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> is an N-octadecenoylsphinganine-1-phosphocholine obtained by formal condensation of the carboxy group of (11Z)-octadecenoic acid with the amino group of sphinganine-1-phosphocholine. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is cis-vaccenic acid . It is also related to or classified as N-octadecenoylsphinganine-1-phosphocholine  .


The molecule <smiles>O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=CC=C(C=C2)C=3OC4=C(C(=O)C3O)C(OC)=C(O)C(O)=C4)C</smiles> <smiles>O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=CC=C(C=C2)C=3OC4=C(C(=O)C3O)C(OC)=C(O)C(O)=C4)C</smiles> is Vogelin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>Cl[Pd--](Cl)(Cl)(Cl)(Cl)Cl</smiles> <smiles>Cl[Pd--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and palladium(IV) as the metal component. It is also related to or classified as perchlorometallate anion , palladium coordination entity .


The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is Bougainvillein-r-I. Its functional parent is betanidin . It is also related to or classified as sophoroside  . It is also related to or classified as betalain .


The molecule <smiles>[H]O[Sb](O[H])O[H]</smiles> <smiles>[H]O[Sb](O[H])O[H]</smiles> is antimonous acid. It is a conjugate acid of antimonite . It is also related to or classified as antimony oxoacid .


The molecule <smiles>O(P(=O)(OCCNC(=O)CCCCCCCCCCCCCCC)[O-])C[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O</smiles> <smiles>O(P(=O)(OCCNC(=O)CCCCCCCCCCCCCCC)[O-])C[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O</smiles> is an N-acylphosphatidylethanolamine(1-) obtained by deprotonation of the phosphate group of N-hexadecanoyl-1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as N-acylphosphatidylethanolamine(1-)  .


The molecule <smiles>O[C@@H]([C@@H](C)/C=C/C(O)=O)CC</smiles> <smiles>O[C@@H]([C@@H](C)/C=C/C(O)=O)CC</smiles> is Mycinonic acid I. It is also related to or classified as medium-chain fatty acid  .


The molecule <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O</smiles> <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O</smiles> is A steroid sulfate oxoanion and N-acylglycinate that is the dianion of sulfoglycolithocholic acid arising from deprotonation of carboxylic acid and sulfate functions; major species at pH 7.3. It has the role of human metabolite .  It is also related to or classified as N-acylglycinate  . It is also related to or classified as sulfoglycolithocholate anion , steroid sulfate oxoanion .


The molecule <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)C7(C)C)[H])[H])C</smiles> <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)C7(C)C)[H])[H])C</smiles> is mogroside VI. It has the role of plant metabolite .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside .


The molecule <smiles>C1=CC(=CC=2C(=CNC12)CCNC(CCC)=O)O</smiles> <smiles>C1=CC(=CC=2C(=CNC12)CCNC(CCC)=O)O</smiles> is an N-acylserotonin obtained by formal condensation of the carboxy group of butyric acid with the primary amino group of serotonin. Its functional parent is butyric acid . It is also related to or classified as N-acylserotonin  .


The molecule <smiles>CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C</smiles> <smiles>CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C</smiles> is A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein. It has the role of antioxidant . It has the role of anticoagulant . It has the role of animal metabolite . It has the role of plant metabolite . It has the role of food colouring . It is also related to or classified as carotenol , carotenone .


The molecule <smiles>NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)C(=O)[C@@H]1O</smiles> <smiles>NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)C(=O)[C@@H]1O</smiles> is A guanidinium ion that is the conjugate acid of 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol; major species at pH 7.3. It is a conjugate acid of 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol . It is also related to or classified as guanidinium ion  .


The molecule <smiles>N=1C=C(C(=C(C1C)O)/C=N/CCCC[C@H](N)C(=O)O)COP(O)(=O)O</smiles> <smiles>N=1C=C(C(=C(C1C)O)/C=N/CCCC[C@H](N)C(=O)O)COP(O)(=O)O</smiles> is an L-lysine derivative that is the aldimine obtained via formal condensation of the side-chain amino group of L-lysine with the carbonyl group of pyridoxal phosphate. Its functional parent is pyridoxal .    It is also related to or classified as aldimine  . It is also related to or classified as L-lysine derivative , methylpyridines , organic phosphate , monohydroxypyridine .


The molecule <smiles>[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> <smiles>[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> is an organic cation that is the conjugate acid of trypanothione, arising from deprotonation of the carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3. It is a conjugate acid of trypanothione . It is also related to or classified as organic cation .


The molecule <smiles>[H][Sb]([H])[H]</smiles> <smiles>[H][Sb]([H])[H]</smiles> is stibane. It is also related to or classified as antimony hydride , mononuclear parent hydride .


The molecule <smiles>O1C(OC=2C(C(O)C(=O)C3=CC=CC=C3)=CC=CC2)C(O)C(O)C(O)C1C(O)=O</smiles> <smiles>O1C(OC=2C(C(O)C(=O)C3=CC=CC=C3)=CC=CC2)C(O)C(O)C(O)C1C(O)=O</smiles> is 3,4,5-trihydroxy-6-[2-(1-hydroxy-2-oxo-2-phenylethyl)phenoxy]oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC1CCCCC1</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC1CCCCC1</smiles> is the amide obtained by formal condensation of linoleic acid with cyclohexylamine. It is also related to or classified as fatty amide .


The molecule <smiles>c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> <smiles>c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> is an arsonium ion consisting of four phenyl groups attached to a central arsonium. It is also related to or classified as arsonium ion .


The molecule <smiles>N1C=C(CCNC(CCCCCCCCCCCCCCCCC)=O)C2=C1C=CC(O)=C2</smiles> <smiles>N1C=C(CCNC(CCCCCCCCCCCCCCCCC)=O)C2=C1C=CC(O)=C2</smiles> is an N-acylserotonin obtained by formal condensation of the carboxy group of stearic acid with the primary amino group of serotonin. It has been found in the jejunum and ileum of pigs and mice. Its functional parent is octadecanoic acid . It is also related to or classified as N-acylserotonin  .


The molecule <smiles>CN(C)CCc1c[nH]c2ccc(O)cc12</smiles> <smiles>CN(C)CCc1c[nH]c2ccc(O)cc12</smiles> is A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. It has the role of hallucinogen . It has the role of coral metabolite . Its functional parent is N,N-dimethyltryptamine . It is also related to or classified as tertiary amine  . It is also related to or classified as tryptamine alkaloid .


The molecule <smiles>CC(C)NCC(Cl)C1=CC2=CC=CC=C2C=C1</smiles> <smiles>CC(C)NCC(Cl)C1=CC2=CC=CC=C2C=C1</smiles> is A naphthalene substituted by a 1-chloro-2-(propan-2-ylamino)ethyl group at position 2.  It is also related to or classified as organochlorine compound  . It is also related to or classified as naphthalenes , secondary amino compound .


The molecule <smiles>N1C=C(CCNC(CCCCCCC/C=C\CCCCCCCC)=O)C2=C1C=CC(O)=C2</smiles> <smiles>N1C=C(CCNC(CCCCCCC/C=C\CCCCCCCC)=O)C2=C1C=CC(O)=C2</smiles> is an N-acylserotonin obtained by formal condensation of the carboxy group of oleoic acid with the primary amino group of serotonin. Its functional parent is oleic acid . It is also related to or classified as N-acylserotonin  .


The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O</smiles> is ADP-D-ribose 2'-phosphate. It has the role of mouse metabolite . Its functional parent is D-ribofuranosyl-ADP . It is a conjugate acid of ADP-D-ribose 2'-phosphate(4-) . It is also related to or classified as ADP-aldose  .


The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OC=C(C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C4)C(=O)C3C=C2)CO</smiles> <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OC=C(C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C4)C(=O)C3C=C2)CO</smiles> is Daidzin 4'-O-glucuronide. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .


The molecule <smiles>Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1</smiles> <smiles>Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1</smiles> is A flavonoid oxoanion that is the conjugate base of (S)-naringenin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .


The molecule <smiles>Cn1c2occc2c(=O)c2ccccc12</smiles> <smiles>Cn1c2occc2c(=O)c2ccccc12</smiles> is Isodictamnine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .


The molecule <smiles>[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1OC(C)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO</smiles> <smiles>[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1OC(C)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO</smiles> is the N-acetyl-D-galactosaminyl group arising from deprotonation of the two carboxy groups of the beta-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,3-(beta-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl group; major species at pH 7.3. It is also related to or classified as N-acetyl-D-galactosaminyl group .


The molecule <smiles>C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br</smiles> <smiles>C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br</smiles> is A bromoalkane consisting of cyclododecane bearing six bromo substituents at positions 1, 2, 5, 6, 9 and 10. It has the role of xenobiotic . It has the role of neurotoxin . It has the role of persistent organic pollutant . It is also related to or classified as brominated flame retardant , bromohydrocarbon , bromoalkane .


The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O</smiles> is ADP-alpha-D-mannose. It has the role of human metabolite . It is also related to or classified as ADP-aldose  .


The molecule <smiles>CCCCC[C@@H]1[C@H](CCC1=O)CC(O)=O</smiles> <smiles>CCCCC[C@@H]1[C@H](CCC1=O)CC(O)=O</smiles> is (-)-9,10-dihydrojasmonic acid. It is also related to or classified as dihydrojasmonic acid , oxo carboxylic acid .


The molecule <smiles>Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1O</smiles> <smiles>Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1O</smiles> is A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2', 4' and 5'. It has the role of plant metabolite . It is also related to or classified as pentahydroxyflavone .


The molecule <smiles>O=[Mo+4]12SC1(O2)N(CCCC)[Cu+]</smiles> <smiles>O=[Mo+4]12SC1(O2)N(CCCC)[Cu+]</smiles> is A metal-sulfur-oxygen cluster with formula C5H9CuMoNO2S. Bound ligand. It is also related to or classified as organic cation , molybdenum coordination entity , copper coordination entity , metal-sulfur-oxygen cluster .


The molecule <smiles>[H][Sb]([H])([H])([H])[H]</smiles> <smiles>[H][Sb]([H])([H])([H])[H]</smiles> is stiborane. It is also related to or classified as antimony hydride , mononuclear parent hydride .


The molecule <smiles>CCCCCCCCC#CCCCCCCCC(O)=O</smiles> <smiles>CCCCCCCCC#CCCCCCCCC(O)=O</smiles> is an octadecynoic acid having its triple bond at position 9. It is also related to or classified as octadecynoic acid .


The molecule <smiles>S(c1ccccc1)c1ccccc1</smiles> <smiles>S(c1ccccc1)c1ccccc1</smiles> is an  aryl sulfide that consists of two phenyl groups connected by a sulphur atom. It is also related to or classified as aryl sulfide .


The molecule <smiles>CC(=O)SCC[NH3+]</smiles> <smiles>CC(=O)SCC[NH3+]</smiles> is the organic cation that is the conjugate acid of S-acetylcysteamine; major species at pH 7.3. It is a conjugate acid of S-acetylcysteamine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>OS(=O)(=O)Oc1cc2ccccc2c2ccccc12</smiles> <smiles>OS(=O)(=O)Oc1cc2ccccc2c2ccccc12</smiles> is 9-phenanthryl hydrogen sulfate. It is a conjugate acid of 9-phenanthryl sulfate . It is also related to or classified as phenanthryl hydrogen sulfate .


The molecule <smiles>O1C=2C(C(=O)C(OC)=C1C3=CC=C(O)C=C3)=CC(O)=C(O)C2</smiles> <smiles>O1C=2C(C(=O)C(OC)=C1C3=CC=C(O)C=C3)=CC(O)=C(O)C2</smiles> is 6,7,4'-Trihydroxy-3-methoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>O=C=NCCc1ccccc1</smiles> <smiles>O=C=NCCc1ccccc1</smiles> is an isocyanate having a 2-phenylethyl group attached to the nitrogen. It has the role of hapten . It is also related to or classified as isocyanates .


The molecule <smiles>CCCC[C@H]([C@H]([C@H](C[C@H](CCCCCCC(C([C@@H]([C@H](C)N)O)O)O)C)OC(C[C@@H](CC(=O)O)C(=O)O)=O)OC(=O)C[C@@H](CC(O)=O)C(=O)O)C</smiles> <smiles>CCCC[C@H]([C@H]([C@H](C[C@H](CCCCCCC(C([C@@H]([C@H](C)N)O)O)O)C)OC(C[C@@H](CC(=O)O)C(=O)O)=O)OC(=O)C[C@@H](CC(O)=O)C(=O)O)C</smiles> is A fumonisin with formula C34H59NO14, originally isolated from Aspergillus niger and also found in unprocessed coffee beans. It has the role of Aspergillus metabolite .  It is also related to or classified as fumonisin  . It is also related to or classified as triol , primary amino compound .


The molecule <smiles>Oc1cc2ccccc2c2ccccc12</smiles> <smiles>Oc1cc2ccccc2c2ccccc12</smiles> is A phenanthrol that is phenanthrene in which a hydrogen attached to a carbon in the central ring has been replaced by a hydroxy group. It has the role of TRPM4 channel inhibitor . It is also related to or classified as phenanthrol .


The molecule <smiles>Cc1ncsc1CCOP([O-])([O-])=O</smiles> <smiles>Cc1ncsc1CCOP([O-])([O-])=O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 4-methyl-5-(2-phosphonooxyethyl)thiazole; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C1=CC(=CC=C1NC=2C=CC(N=C=S)=CC2)[N+](=O)[O-]</smiles> <smiles>C1=CC(=CC=C1NC=2C=CC(N=C=S)=CC2)[N+](=O)[O-]</smiles> is an isothiocyanate that is phenyl isothiocyanate in which the hydrogen at the para- position has been replaced by a 4-nitroanilinyl group. It has the role of schistosomicide drug . Its functional parent is diphenylamine .   It is also related to or classified as isothiocyanate  . It is also related to or classified as C-nitro compound , secondary amino compound .


The molecule <smiles>N[C@@H](C[SeH])C([O-])=O</smiles> <smiles>N[C@@H](C[SeH])C([O-])=O</smiles> is L-selenocysteinate(1-). It is a conjugate acid of L-selenocysteinate(2-) . It is also related to or classified as selenocysteinate(1-)  .


The molecule <smiles>C(C(NCCC=1C=2C(NC1)=CC=C(C2)O)=O)CCCCCCCCCCCCCC</smiles> <smiles>C(C(NCCC=1C=2C(NC1)=CC=C(C2)O)=O)CCCCCCCCCCCCCC</smiles> is an N-acylserotonin obtained by formal condensation of the carboxy group of hexadecanoic acid with the primary amino group of serotonin. Its functional parent is hexadecanoic acid . It is also related to or classified as N-acylserotonin  .


The molecule <smiles>CC(/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</smiles> <smiles>CC(/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</smiles> is the 9-cis-stereoisomer of violaxanthin.  It is also related to or classified as 9-cis-epoxycarotenoid  . It is also related to or classified as violaxanthin .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)C(N)CO</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)C(N)CO</smiles> is 2-amino-1-hydroxyoctadecan-3-one. It is also related to or classified as ketone  . It is also related to or classified as sphingoid  .


The molecule <smiles>COc1cc(ccc1N=C=O)[N+]([O-])=O</smiles> <smiles>COc1cc(ccc1N=C=O)[N+]([O-])=O</smiles> is an isocyanate having a 2-methoxy-4-nitrophenyl group attached to the nitrogen. It has the role of hapten . It is also related to or classified as 3-nitroanisoles  . It is also related to or classified as isocyanates .


The molecule <smiles>C(C(NCCC=1C=CC(=C(C1)O)O)=O)CCCCCCCCCCCCCC</smiles> <smiles>C(C(NCCC=1C=CC(=C(C1)O)O)=O)CCCCCCCCCCCCCC</smiles> is A fatty amide resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of dopamine. It is present as an endogenous compound in the mammalian brain. Its functional parent is hexadecanoic acid . Its functional parent is dopamine . It is also related to or classified as N-(fatty acyl)-dopamine  . It is also related to or classified as catechols  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as fatty amide .


The molecule <smiles>COc1c2occc2c([O-])c2ccc(=O)oc12</smiles> <smiles>COc1c2occc2c([O-])c2ccc(=O)oc12</smiles> is A phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as phenolate anion .


The molecule <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O</smiles> <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O</smiles> is A steroid sulfate oxoanion arising from deprotonation of both sulfo groups of taurolithocholic acid sulfate; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as steroid sulfate oxoanion .


The molecule <smiles>O1C([C@H](O)C(O)C(O)[C@H]1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO</smiles> <smiles>O1C([C@H](O)C(O)C(O)[C@H]1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO</smiles> is Galactobuxin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CCCOC(=O)c1ccccc1C(=O)OCCC</smiles> <smiles>CCCOC(=O)c1ccccc1C(=O)OCCC</smiles> is A phthalate ester that is the dipropyl ester of benzene-1,2-dicarboxylic acid.  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .


The molecule <smiles>C(C([O-])=O)C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CC)OO</smiles> <smiles>C(C([O-])=O)C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CC)OO</smiles> is A docosanoid anion that is the conjugate base of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate . It is also related to or classified as hydroperoxydocosahexaenoate .


The molecule <smiles>CCCCCCCCC(O)C(O)CCCCCCCC(O)=O</smiles> <smiles>CCCCCCCCC(O)C(O)CCCCCCCC(O)=O</smiles> is A hydroxy-fatty acid formally derived from octacecanoic (stearic) acid by hydroxy substitution at positions 9 and 10. It is a conjugate acid of 9,10-dihydroxystearate . It is also related to or classified as hydroxyoctadecanoic acid , dihydroxy monocarboxylic acid .


The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is conjugate base of vitexin 2''-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .


The molecule <smiles>C(\CC)=C\C/C=C\C/C=C\C=C\C(C/C=C\CCCC(=O)[O-])OO</smiles> <smiles>C(\CC)=C\C/C=C\C/C=C\C=C\C(C/C=C\CCCC(=O)[O-])OO</smiles> is an icosanoid anion that is the conjugate base of (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyicosapentaenoate .


The molecule <smiles>[H]C(=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</smiles> <smiles>[H]C(=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</smiles> is A neoxanthin in which all of the double bonds have trans geometry except for that at the 9' position, which is cis. It is also related to or classified as neoxanthin  . It is also related to or classified as 9-cis-epoxycarotenoid  .


The molecule <smiles>[Na+].[H][C@]1(C[NH2+][C@@]([H])(C1)C(=O)Nc1cccc(c1)C([O-])=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C([O-])=O</smiles> <smiles>[Na+].[H][C@]1(C[NH2+][C@@]([H])(C1)C(=O)Nc1cccc(c1)C([O-])=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C([O-])=O</smiles> is the monosodium salt of ertapenem. It is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract. It is more stable to  renal dehydropeptidase I tham imipenem, and so unlike imipenem, its use with cilastatin, which inhibits the enzyme, is not required. It has the role of antibacterial drug . It is also related to or classified as organic sodium salt .


The molecule <smiles>OC1=CC(N)=C(/N=N/C2=CC=3CCC(NC3C=C2)=O)C=C1C</smiles> <smiles>OC1=CC(N)=C(/N=N/C2=CC=3CCC(NC3C=C2)=O)C=C1C</smiles> is zL0420 is a potent and selective bromodomain-containing protein 4 (BRD4) inhibitor with IC50 values of 27 nM against BRD4 BD1 and 32 nM against BRD4 BD2. It is also related to or classified as organic molecular entity .


The molecule <smiles>[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O</smiles> <smiles>[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O</smiles> is A doubly-charged peptide anion arising from deprotonation of the four carboxy groups and protonation of the two amino groups of glutathione disulfide; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as peptide anion .


The molecule <smiles>C(CC/C=C\C=C\1/O[C@H]1C/C=C\CC)CCCCC(=O)[O-]</smiles> <smiles>C(CC/C=C\C=C\1/O[C@H]1C/C=C\CC)CCCCC(=O)[O-]</smiles> is an octadecanoid anion that is the conjugate base of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as octadecanoid anion , polyunsaturated fatty acid anion .


The molecule <smiles>OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2C(=O)CNC=Nc12</smiles> <smiles>OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2C(=O)CNC=Nc12</smiles> is A coformycin that is dehydrocoformycin with the hydroxy group at position 2 replaced with a hydrogen. Its functional parent is dehydrocoformycin . It is also related to or classified as coformycins .


The molecule <smiles>O1C([C@@H](OC(=O)C)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=CC=C4)CO</smiles> <smiles>O1C([C@@H](OC(=O)C)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=CC=C4)CO</smiles> is Chrysin 7-(4''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CC(O)=O)C(O)=O</smiles> is the L-enantiomer of aspartic acid. It has the role of neurotransmitter . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of L-aspartate(1-) .  It is also related to or classified as aspartic acid  . It is also related to or classified as L-alpha-amino acid  . It is also related to or classified as aspartate family amino acid , proteinogenic amino acid .


The molecule <smiles>O[C@H](COP([O-])([O-])=O)[C@H](O)CC(=O)C([O-])=O</smiles> <smiles>O[C@H](COP([O-])([O-])=O)[C@H](O)CC(=O)C([O-])=O</smiles> is an organophosphate oxoanion that is a trianion obtained via deprotonation of the carboxy and phosphate OH groups of 6-phospho-2-dehydro-3-deoxy-D-galactonic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion , carbohydrate acid derivative anion .


The molecule <smiles>C(CCC/C=C\C[C@@H]1/C(/O1)=C/C=C\C/C=C\CCCCC)(=O)[O-]</smiles> <smiles>C(CCC/C=C\C[C@@H]1/C(/O1)=C/C=C\C/C=C\CCCCC)(=O)[O-]</smiles> is an EpETE(1-) that is the conjugate base of (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is 8(R)-HPETE(1-) . It is also related to or classified as EpETE(1-) , icosanoid anion , organic molecular entity .


The molecule <smiles>CCCCC\C=C/C\C=C/[C@H](O)CCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/[C@H](O)CCCCCCC(O)=O</smiles> is A C18, straight-chain, hydroxy fatty acid composed of linoleic acid having an (R)-hydroxy group at the 8-position. Its functional parent is linoleic acid .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , straight-chain fatty acid .


The molecule <smiles>O=C(c1ccccc1)c1cn[nH]c1</smiles> <smiles>O=C(c1ccccc1)c1cn[nH]c1</smiles> is 4-benzoylpyrazole. It is also related to or classified as benzoylpyrazole  . It is also related to or classified as aromatic ketone .


The molecule <smiles>[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O</smiles> <smiles>[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O</smiles> is erythritol in which each of the hydroxy groups has been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to nitroglycerin. It is usually used diluted with lactose or other suitable inert excipients, in order to minimise the risk of explosion; undiluted erythrityl tetranitrate can be exploded by percussion or excessive heat. It has the role of vasodilator agent . It has the role of explosive . Its functional parent is erythritol . It is also related to or classified as nitrate ester .


The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)COC(=O)CC(O)=O</smiles> <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)COC(=O)CC(O)=O</smiles> is Bichanin A 7-O-glucoside-6''-malonate. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .


The molecule <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=C</smiles> <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=C</smiles> is the S-acryloyl derivative of coenzyme A. It has the role of mouse metabolite . Its functional parent is coenzyme A . Its functional parent is acrylic acid . It is a conjugate acid of acryloyl-CoA(4-) . It is also related to or classified as monounsaturated fatty acyl-CoA , 2-enoyl-CoA .


The molecule <smiles>C(CCC([O-])=O)CCC/C=C\CC(/C=C/C=C\CCCCC)OO</smiles> <smiles>C(CCC([O-])=O)CCC/C=C\CC(/C=C/C=C\CCCCC)OO</smiles> is A hydroperoxyicosatrienoate that is the conjugate base of (8Z,12E,14Z)-11-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyicosatrienoate .


The molecule <smiles>[C@H]1(C[C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O</smiles> <smiles>[C@H]1(C[C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O</smiles> is (-)-15-hydroxysativene. It has the role of fungal metabolite .  It is also related to or classified as sesquiterpene  . It is also related to or classified as organic hydroxy compound , bridged compound .


The molecule <smiles>OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C=C2O</smiles> <smiles>OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C=C2O</smiles> is A pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. It has the role of EC 4.1.1.17 (ornithine decarboxylase) inhibitor . It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of antineoplastic agent . It has the role of antilipemic drug . It has the role of angiogenesis inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is kaempferol .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as pentahydroxyflavone .


The molecule <smiles>O1C([C@H](O)C(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(O[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)=CC3O)C</smiles> <smiles>O1C([C@H](O)C(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(O[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)=CC3O)C</smiles> is Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>COc1cc(cc(OC)c1O)\C=C\C(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>COc1cc(cc(OC)c1O)\C=C\C(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is the 6-O-sinapoyl derivative of D-glucono-1,5-lactone. It has the role of plant metabolite . Its functional parent is trans-sinapic acid . Its functional parent is D-glucono-1,5-lactone . It is also related to or classified as gluconolactone .


The molecule <smiles>P(CC[N+](C)(C)C)(OCC(OC(=O)C)COC(=O)C)(=O)[O-]</smiles> <smiles>P(CC[N+](C)(C)C)(OCC(OC(=O)C)COC(=O)C)(=O)[O-]</smiles> is diacylglycerol 2-trimethylaminoethylphosphonate. It is also related to or classified as carboxylic ester  . It is also related to or classified as glycerophosphonolipid .


The molecule <smiles>[H][Sb-]([H])[H]</smiles> <smiles>[H][Sb-]([H])[H]</smiles> is trihydridoantimonate(.1-). It is also related to or classified as inorganic radical anion , antimony hydride .


The molecule <smiles>C(CCC([O-])=O)CCC/C=C\C(/C=C\C/C=C\CCCCC)OO</smiles> <smiles>C(CCC([O-])=O)CCC/C=C\C(/C=C\C/C=C\CCCCC)OO</smiles> is A hydroperoxyicosatrienoate that is the conjugate base of (8Z,11Z,14Z)-10-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyicosatrienoate .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of all-cis-icosa-8,11,14-trienoic acid. It has the role of human metabolite . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is a conjugate acid of (8Z,11Z,14Z)-icosatrienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .


The molecule <smiles>O1[C@@H](OC2=C(C=3OC(CC(=O)C3C=C2C)C4=CC=CC=C4)C)C(O)[C@@H](O)[C@@H](O)C1</smiles> <smiles>O1[C@@H](OC2=C(C=3OC(CC(=O)C3C=C2C)C4=CC=CC=C4)C)C(O)[C@@H](O)[C@@H](O)C1</smiles> is 7-Hydroxy-6,8-di-C-methylflavanone 7-O-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>[O-]C(=O)C=C</smiles> <smiles>[O-]C(=O)C=C</smiles> is acrylate. It has the role of human metabolite . It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>[H]O[Sb]([O-])(=O)O[H]</smiles> <smiles>[H]O[Sb]([O-])(=O)O[H]</smiles> is A monovalent inorganic anion that consists of antimonic acid where one of the three OH groups has been deprotonated. It is a conjugate acid of antimonate(2-) . It is also related to or classified as antimony oxoanion , monovalent inorganic anion .


The molecule <smiles>C(CCC([O-])=O)CCC[C@H](/C=C/C=C\C/C=C\CCCCC)OO</smiles> <smiles>C(CCC([O-])=O)CCC[C@H](/C=C/C=C\C/C=C\CCCCC)OO</smiles> is A hydroperoxyicosatrienoate that is the conjugate base of (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyicosatrienoate .


The molecule <smiles>S=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OC</smiles> <smiles>S=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OC</smiles> is an organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of ectoparasiticide . Its functional parent is 4,4'-thiodiphenol . It is also related to or classified as organic sulfide  . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .


The molecule <smiles>CC(\C=C\[C@@]1(O)C(C)=CC(=O)C[C@]1(C)CO)=C\C([O-])=O</smiles> <smiles>CC(\C=C\[C@@]1(O)C(C)=CC(=O)C[C@]1(C)CO)=C\C([O-])=O</smiles> is conjugate base of (+)-8'-hydroxyabscisic acid. It is also related to or classified as hydroxy monocarboxylic acid anion .


The molecule <smiles>OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1</smiles> <smiles>OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1</smiles> is digallic acid. Its functional parent is gallic acid . It is a conjugate acid of digallate . It is also related to or classified as gallate ester , benzoate ester .


The molecule <smiles>C(=O)(CCC=1C=CC(OCC(CNC(C)C)O)=CC1)OC</smiles> <smiles>C(=O)(CCC=1C=CC(OCC(CNC(C)C)O)=CC1)OC</smiles> is A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. Its functional parent is 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid .  It is also related to or classified as methyl ester  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as ethanolamines , aromatic ether , secondary amino compound .


The molecule <smiles>CCCSP(=S)(OCC)Oc1ccc(SC)cc1</smiles> <smiles>CCCSP(=S)(OCC)Oc1ccc(SC)cc1</smiles> is sulprofos. It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-(methylsulfanyl)phenol . It is also related to or classified as organothiophosphate insecticide , organosulfur compound , organic thiophosphate .


The molecule <smiles>O=S(C1=CC=C(C)C=C1)(N/N=C/C2=CC(Br)=CC=C2O)=O</smiles> <smiles>O=S(C1=CC=C(C)C=C1)(N/N=C/C2=CC(Br)=CC=C2O)=O</smiles> is dCeMM1 is a RBM39 glue degrader. dCeMM1 shows functions by re-directing the activity of the CRL4DCAF15 ligase. dCeMM1 decreases the expression of RBM39 levels in WT KBM7 cells. It is also related to or classified as organic molecular entity .


The molecule <smiles>CC(=O)OCCc1ccccc1</smiles> <smiles>CC(=O)OCCc1ccccc1</smiles> is the acetate ester of 2-phenylethanol. It has the role of metabolite . It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is 2-phenylethanol . It is also related to or classified as acetate ester  .


The molecule <smiles>C1(C2=C(C=C(C(=C2)Br)Br)Br)=C(C=C(C(=C1)Br)Br)Br</smiles> <smiles>C1(C2=C(C=C(C(=C2)Br)Br)Br)=C(C=C(C(=C1)Br)Br)Br</smiles> is A polybromobiphenyl that is biphenyl in which the hydrogens at positions 2, 2', 4, 4', 5, and 5' have been replace by bromines. It is also related to or classified as polybromobiphenyl , brominated flame retardant .


The molecule <smiles>[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C</smiles> <smiles>[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C</smiles> is 7alpha-hydroxyandrost-4-ene-3,17-dione. It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as androstanoid .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO</smiles> is A cationic sphingoid that is the conjugate acid of 3-dehydrosphinganine; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is a conjugate acid of 3-dehydrosphinganine . It is also related to or classified as 3-dehydrosphingoid base(1+)  .


The molecule <smiles>Cc1ncc(COP([O-])(=O)OP([O-])([O-])=O)c(N)n1</smiles> <smiles>Cc1ncc(COP([O-])(=O)OP([O-])([O-])=O)c(N)n1</smiles> is trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>[H]C(=C)C([H])=O</smiles> <smiles>[H]C(=C)C([H])=O</smiles> is an enal that is prop-2-ene with an oxo group at position 1. It has the role of herbicide . It has the role of toxin . It has the role of human xenobiotic metabolite . It is also related to or classified as enal  .


The molecule <smiles>[H][Sb+]([H])([H])[H]</smiles> <smiles>[H][Sb+]([H])([H])[H]</smiles> is stibonium. It is a conjugate acid of stibane . It is also related to or classified as antimony hydride , onium cation .


The molecule <smiles>C1=COC=CO1</smiles> <smiles>C1=COC=CO1</smiles> is an oxacycle that is 4H-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic. It is also related to or classified as oxacycle .


The molecule <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C</smiles> <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C</smiles> is 7alpha,12alpha-dihydroxycholest-4-en-3-one. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 7alpha-hydroxy steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 12alpha-hydroxy steroid , cholestanoid .


The molecule <smiles>OC(C(NCCC(O)C(O)=O)C(O)=O)CNCC(O)=O</smiles> <smiles>OC(C(NCCC(O)C(O)=O)C(O)=O)CNCC(O)=O</smiles> is Distichonic acid A. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1Nc1ccccc21</smiles> <smiles>CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1Nc1ccccc21</smiles> is A ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'. It is also related to or classified as ring assembly , calycanthaceous alkaloid , pyrroloindole .


The molecule <smiles>Oc1ccccc1C([O-])=O</smiles> <smiles>Oc1ccccc1C([O-])=O</smiles> is A monohydroxybenzoate that is the conjugate base of salicylic acid. It has the role of plant metabolite . It is also related to or classified as monohydroxybenzoate .


The molecule <smiles>CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C</smiles> <smiles>CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C</smiles> is isofenphos. It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is isopropyl salicylate .   It is also related to or classified as isopropyl ester  . It is also related to or classified as organothiophosphate insecticide , salicylates , organic phosphonate , phosphonic ester .


The molecule <smiles>OC(=O)CCCC([O-])=O</smiles> <smiles>OC(=O)CCCC([O-])=O</smiles> is A dicarboxylic acid monoanion that is the conjugate base of glutaric acid. It has the role of human metabolite . It is a conjugate acid of glutarate(2-) . It is also related to or classified as glutarate , dicarboxylic acid monoanion .


The molecule <smiles>C(CCCCCCC/C=C\CCCCCC)(=O)NCC([O-])=O</smiles> <smiles>C(CCCCCCC/C=C\CCCCCC)(=O)NCC([O-])=O</smiles> is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-[(9Z)-hexadecenoyl]glycine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-)  . It is also related to or classified as N-acylglycinate  .


The molecule <smiles>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(O)=O</smiles> <smiles>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(O)=O</smiles> is A monosaccharide derivative that is 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid in which the hydroxy group at position 2 is replaced by a beta-D-glucopyranosyloxy group. It has the role of anti-HBV agent . It has the role of fungal metabolite . Its functional parent is 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid . It is a conjugate acid of exophillate . It is also related to or classified as beta-D-glucoside  .    It is also related to or classified as phenols  . It is also related to or classified as monohydroxybenzoic acid , benzoate ester , monosaccharide derivative .


The molecule <smiles>CC(=O)CC(=O)C([O-])=O</smiles> <smiles>CC(=O)CC(=O)C([O-])=O</smiles> is acetylpyruvate. Its functional parent is valerate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .


The molecule <smiles>C(CCCCCCCC(=O)NCC([O-])=O)CCCCCCCCC</smiles> <smiles>C(CCCCCCCC(=O)NCC([O-])=O)CCCCCCCCC</smiles> is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-octadecanoylglycine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-)  . It is also related to or classified as N-acylglycinate  .


The molecule <smiles>[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C</smiles> <smiles>[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C</smiles> is the organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide. It has the role of detergent . It has the role of surfactant . It is also related to or classified as quaternary ammonium salt , organic bromide salt .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O</smiles> is the 2-O-sulfonato-2'-O-hexadecanoyl derivative of alpha,alpha-trehalose. Its functional parent is alpha,alpha-trehalose . It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as trehalose sulfate , polyacyl alpha,alpha-trehalose derivative .


The molecule <smiles>CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C</smiles> <smiles>CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C</smiles> is tebupirimfos. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 2-tert-butylpyrimidin-5-ol . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .


The molecule <smiles>O=C1O[C@@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](OC(=O)C)CC3C2)OC)=O)C</smiles> <smiles>O=C1O[C@@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](OC(=O)C)CC3C2)OC)=O)C</smiles> is Hexaricin B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .


The molecule <smiles>Cn1cnc2nc(N)[nH]c(=O)c12</smiles> <smiles>Cn1cnc2nc(N)[nH]c(=O)c12</smiles> is A 7-methylguanine that is 1,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 7. It is also related to or classified as 7-methylguanine  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC</smiles> is A derivative of alpha,alpha-trehalose having an O-sulfo group at the 2 position and two long chain fatty acyl substituents at the 2'- and 3'-positions. Its functional parent is alpha,alpha-trehalose . It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as trehalose sulfate , polyacyl alpha,alpha-trehalose derivative .


The molecule <smiles>CNC(N)=[NH2+]</smiles> <smiles>CNC(N)=[NH2+]</smiles> is A guanidinium ion that is the conjugate acid of methylguanidine; major species at pH 7.3. It is a conjugate acid of methylguanidine . It is also related to or classified as guanidinium ion  .


The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O</smiles> <smiles>C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O</smiles> is an amino disaccharide consisting of two N-formyl-alpha-D-perosamine residues linked (1->3); forms the minimal structure for the M epitope of Brucella spp. It has the role of epitope . It is also related to or classified as amino disaccharide .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)OCCN</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of the monosaccharide derivative beta-D-glucopyranuronic acid. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .


The molecule <smiles>CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1</smiles> <smiles>CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1</smiles> is the pteridine that is lumazine substituted with a methyl group at C-6, a hydroxy group at C-7 and a 1-D-ribityl group at N-8. It has the role of EC 2.5.1.9 (riboflavin synthase) inhibitor . Its functional parent is ribitol . Its functional parent is lumazine . It is a conjugate acid of 7-hydroxy-6-methyl-8-(1-D-ribityl)lumazine(1-) . It is also related to or classified as pteridines .


The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)CO</smiles> <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)CO</smiles> is Miconioside B. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O</smiles> <smiles>C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O</smiles> is an amino trisaccharide consisting of three N-formyl-alpha-D-perosamine residues linked sequentially (1->3) and (1->2). It is also related to or classified as amino trisaccharide .


The molecule <smiles>C[C@H]1O[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)C1=O</smiles> <smiles>C[C@H]1O[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)C1=O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-2-acetamido-4-dehydro-2,6-dideoxy-beta-D-glucose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCN</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of the monosaccharide beta-D-glucopyranose. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .


The molecule <smiles>C=1C=C(C=C2C1C=CC(=O)O2)OCC</smiles> <smiles>C=1C=C(C=C2C1C=CC(=O)O2)OCC</smiles> is A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. Its functional parent is umbelliferone . It is also related to or classified as coumarins , aromatic ether .


The molecule <smiles>Cc1ccc(cc1C)N=C=O</smiles> <smiles>Cc1ccc(cc1C)N=C=O</smiles> is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 3 and 4. It has the role of hapten . It is also related to or classified as isocyanates .


The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O</smiles> <smiles>C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O</smiles> is an amino trisaccharide consisting of three N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3). It is also related to or classified as amino trisaccharide .


The molecule <smiles>[C@H]1([C@@H]([C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O)O</smiles> <smiles>[C@H]1([C@@H]([C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O)O</smiles> is (-)-14,15-dihydroxysativene. It has the role of fungal metabolite .  It is also related to or classified as sesquiterpene  . It is also related to or classified as organic hydroxy compound , bridged compound .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OCCN</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of beta-D-glucosyl and beta-D-glucuronosyl residues linked (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as disaccharide derivative .


The molecule <smiles>[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C</smiles> <smiles>[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C</smiles> is A 3beta-sterol having the structure of desmosterol with an extra double bond at C-7--C-8. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is desmosterol . It is also related to or classified as 3beta-sterol  .


The molecule <smiles>C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H]</smiles> <smiles>C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H]</smiles> is the conjugate base of 3beta-hydroxyandrost-5-en-17-one 3-sulfate arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as steroid sulfate oxoanion .


The molecule <smiles>C[C@@H](CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)OS([O-])(=O)=O</smiles> <smiles>C[C@@H](CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)OS([O-])(=O)=O</smiles> is anionic form of a sulfated menaquinone-type compound arising from deprotonation of the sulfate OH; a metabolite from Mycobacterium tuberculosis lipid extracts. It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=CC=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)C(O)=O</smiles> <smiles>O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=CC=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)C(O)=O</smiles> is Scutellarein 6,7-dimethyl ether 4'-glucuronide. It is also related to or classified as beta-D-glucosiduronic acid , flavonoids .


The molecule <smiles>CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1</smiles> <smiles>CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1</smiles> is an organochlorine compound that is 2-(4-chlorobenzyl)pyridine in which one of the benzylic hydrogens is substituted by 2-(dimethylamino)ethoxy group. It is an ethanolamine-type antihistamine, used as its maleate salt for treating hay fever, as well as mild cases of Parkinson's disease. It has the role of H1-receptor antagonist . It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It has the role of anti-allergic agent . It is also related to or classified as pyridines , tertiary amino compound , monochlorobenzenes .


The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O</smiles> <smiles>C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O</smiles> is an amino tetrasaccharide consisting of four N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->3) and (1->2). It is also related to or classified as amino tetrasaccharide .


The molecule <smiles>Oc1ccc(cc1O)[As+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> <smiles>Oc1ccc(cc1O)[As+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> is an arsonium ion consisting of tetraphenylarsonium having two hydroxy groups at positions 3 and 4 on one of the phenyl rings. It is also related to or classified as arsonium ion , polyatomic cation .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-palmitoylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-acylglycerone 3-phosphate(2-)  .


The molecule <smiles>C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CC(C)C)=C\CCCCCCCC</smiles> <smiles>C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CC(C)C)=C\CCCCCCCC</smiles> is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-leucine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-leucine(1-)  . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .


The molecule <smiles>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C([O-])=O</smiles> <smiles>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C([O-])=O</smiles> is A monohydroxybenzoate that is the conjugate base of phaeomoniecin D resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3. It is also related to or classified as monohydroxybenzoate .


The molecule <smiles>[H]C(=O)c1ccc(CO)o1</smiles> <smiles>[H]C(=O)c1ccc(CO)o1</smiles> is A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. It has the role of indicator . It has the role of Maillard reaction product . It is also related to or classified as primary alcohol  .  It is also related to or classified as arenecarbaldehyde  . It is also related to or classified as furans .


The molecule <smiles>O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@@H](CCCC)O)O</smiles> <smiles>O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@@H](CCCC)O)O</smiles> is A 16-HETE in which the chiral centre at position 16 has R-configuration. It has the role of mouse metabolite . It is a conjugate acid of 16(R)-HETE(1-) . It is also related to or classified as 16-HETE  .


The molecule <smiles>[NH3+]C(CO)C(O)=O</smiles> <smiles>[NH3+]C(CO)C(O)=O</smiles> is an alpha-amino-acid cation that is the conjugate acid of serine. It has the role of fundamental metabolite . It is a conjugate acid of serine . It is also related to or classified as alpha-amino-acid cation .


The molecule <smiles>[O-]C(=O)c1cc(oc(=O)c1)C([O-])=O</smiles> <smiles>[O-]C(=O)c1cc(oc(=O)c1)C([O-])=O</smiles> is A dicarboxylic acid dianion obtained via deprotonation of both carboxy groups of 2-oxo-2H-pyran-4,6-dicarboxylic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)O)O)OCCN</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of beta-D-glucuronosyl and beta-D-glucosyl residues linked (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as disaccharide derivative .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=C)[C@H]1CCC(C)=CC1</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=C)[C@H]1CCC(C)=CC1</smiles> is A sesterterpene that is 1-methylcyclohexene substituted by a (5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl group at position 4 (the 4S-stereoisomer). It has the role of bacterial metabolite .  It is also related to or classified as sesterterpene  . It is also related to or classified as cyclic olefin , polyene , carbocyclic compound .


The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H](C(O)C5O)CO</smiles> <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H](C(O)C5O)CO</smiles> is Luteolin 7-arabinofuranosyl-(1->6)-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>OC12C(C(O)(CC1O)C)C(OC=C2)OC3OC(C(O)C(O)C3O)COC4OC(C(O)C(O)C4O)CO</smiles> <smiles>OC12C(C(O)(CC1O)C)C(OC=C2)OC3OC(C(O)C(O)C3O)COC4OC(C(O)C(O)C4O)CO</smiles> is Stachyoside A. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .


The molecule <smiles>CC(=O)NCCCC([NH3+])CC([O-])=O</smiles> <smiles>CC(=O)NCCCC([NH3+])CC([O-])=O</smiles> is zwitterionic form of 6-acetamido-3-aminohexanoic acid. It is also related to or classified as amino-acid zwitterion .


The molecule <smiles>CC(C)CC(=O)C(O)=O</smiles> <smiles>CC(C)CC(=O)C(O)=O</smiles> is A 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease. It has the role of human metabolite . It has the role of algal metabolite . Its functional parent is valeric acid . It is a conjugate acid of 4-methyl-2-oxopentanoate .  It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as branched-chain keto acid .


The molecule <smiles>CC1=CC=C(O1)C(=O)N1CSCC1C(=O)NC1=NC=C(C)S1</smiles> <smiles>CC1=CC=C(O1)C(=O)N1CSCC1C(=O)NC1=NC=C(C)S1</smiles> is A furan that is substituted by {4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}carbonyl and methyl groups at positions 2 and 5, respectively. It is a glue degrader that induces the ubiquitination and degradation of cyclin K by prompting an interaction between CDK12:cyclin K with a CRL4B ligase complex. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as furans , thiazolidines , 1,3-thiazoles .


The molecule <smiles>C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CCC(=O)N)=C\CCCCCCCC</smiles> <smiles>C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CCC(=O)N)=C\CCCCCCCC</smiles> is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-glutamine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-glutamine(1-)  . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)[C@@H]2C[C@H]1C(C)=CC2</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)[C@@H]2C[C@H]1C(C)=CC2</smiles> is A sesterterpene that is 2,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a (6E,10E)-2,6,10-trimethyltrideca-2,6,10-trien-13-yl at position 6 (the 1S,5S,6R-stereoisomer). It has the role of bacterial metabolite . It is also related to or classified as sesterterpene  . It is also related to or classified as polycyclic olefin , bridged compound , carbobicyclic compound , polyene .


The molecule <smiles>O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)C=3OC4=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC(O)=C4C(=O)C3)C(O)=O)C6OC(C(O)C(O)C6OC(=O)/C=C/C7=CC=C(O)C=C7)C(O)=O</smiles> <smiles>O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)C=3OC4=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC(O)=C4C(=O)C3)C(O)=O)C6OC(C(O)C(O)C6OC(=O)/C=C/C7=CC=C(O)C=C7)C(O)=O</smiles> is Apigenin 4'-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide] 7-glucuronide. It is also related to or classified as glucosiduronic acid , flavonoids .


The molecule <smiles>Cc1ccccc1N=C=O</smiles> <smiles>Cc1ccccc1N=C=O</smiles> is an isocyanate comprising a benzene core with isocyanato- and methyl substituents ortho to each other. It has the role of hapten . It is also related to or classified as toluenes , isocyanates .


The molecule <smiles>O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O</smiles> <smiles>O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O</smiles> is Quercetin 3-(6''-malonylgalactoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)C(O)=O)OCCN)O)O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)C(O)=O)OCCN)O)O)O</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of a trisaccharide consisting of beta-D-glucuronosyl, beta-D-glucosyl and beta-D-glucuronosyl residues linked sequentially (1->4) and (1->3). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trisaccharide derivative .


The molecule <smiles>O1[C@]2(O[C@@H]3[C@@H]4[C@@H](O)N=C(N[C@@]4([C@@H]2O)C([C@H]1[C@]3(O)CO)O)N)O</smiles> <smiles>O1[C@]2(O[C@@H]3[C@@H]4[C@@H](O)N=C(N[C@@]4([C@@H]2O)C([C@H]1[C@]3(O)CO)O)N)O</smiles> is (+/-)-tetrodotoxin. Its functional parent is tetrodotoxin . It is also related to or classified as quinazoline alkaloid .


The molecule <smiles>N(c1ccccc1)c1ccccc1</smiles> <smiles>N(c1ccccc1)c1ccccc1</smiles> is an aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. It has the role of ferroptosis inhibitor . It has the role of antioxidant . It has the role of radical scavenger . It has the role of carotogenesis inhibitor . It has the role of EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as aromatic amine , secondary amino compound , bridged diphenyl fungicide .


The molecule <smiles>C=1C(NC=2C=CC(NC(=S)N3CCN(CC3)C)=CC2)=CC=C([N+](=O)[O-])C1</smiles> <smiles>C=1C(NC=2C=CC(NC(=S)N3CCN(CC3)C)=CC2)=CC=C([N+](=O)[O-])C1</smiles> is A thiourea resulting from the formal condensation of the secondary amino group of 1-methylpiperazine and the primary amino group of N-(4-nitrophenyl)benzene-1,4-diamine with carbonothioic O,O-acid. It has the role of antinematodal drug . Its functional parent is diphenylamine . It is also related to or classified as C-nitro compound , N-methylpiperazine , secondary amino compound , thioureas .


The molecule <smiles>[O-]C(=O)C#CC([O-])=O</smiles> <smiles>[O-]C(=O)C#CC([O-])=O</smiles> is A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of acetylenedicarboxylic acid. It is also related to or classified as C4-dicarboxylate  . It is also related to or classified as dicarboxylic acid dianion  .


The molecule <smiles>C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CO)=C\CCCCCCCC</smiles> <smiles>C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CO)=C\CCCCCCCC</smiles> is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-serine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .


The molecule <smiles>S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](O)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O</smiles> <smiles>S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](O)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O</smiles> is Epicoccin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>[H][C@]12NC3=C(N[C@@]1([H])C1=C(S[Mo-](O)(=O)(=S)S1)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC(N)=N3</smiles> <smiles>[H][C@]12NC3=C(N[C@@]1([H])C1=C(S[Mo-](O)(=O)(=S)S1)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC(N)=N3</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor; major species at pH 7.3. It is a conjugate acid of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4-) . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>[H]O[Sb](=O)(O[H])O[H]</smiles> <smiles>[H]O[Sb](=O)(O[H])O[H]</smiles> is antimonic acid. It is a conjugate acid of antimonate(1-) . It is also related to or classified as antimony oxoacid .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCCCCCN</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCCCCCN</smiles> is A beta-D-glucoside that is the 5-aminopentyl glycoside of a trisaccharide consisting of beta-D-glucosyl, beta-D-glucuronosyl and beta-D-glucosyl residues linked sequentially (1->3) and (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trisaccharide derivative .


The molecule <smiles>O=C1O[C@](CC(=O)OC2=CC(O)=CC(=C2)C)(C)C=C1O</smiles> <smiles>O=C1O[C@](CC(=O)OC2=CC(O)=CC(=C2)C)(C)C=C1O</smiles> is Penicilactone B. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>S1CC(=O)C(S)=C1C</smiles> <smiles>S1CC(=O)C(S)=C1C</smiles> is 5-Methyl-4-sulfanyl-2,3-dihydrothiophen-3-one. It is also related to or classified as organic sulfide  . It is also related to or classified as enone  .


The molecule <smiles>O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C</smiles> <smiles>O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C</smiles> is Myricetin 3-robinobioside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCCN</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of a trisaccharide consisting of beta-D-glucosyl, beta-D-glucuronosyl and beta-D-glucosyl residues linked sequentially (1->3) and (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trisaccharide derivative .


The molecule <smiles>O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C3)C)C)C</smiles> <smiles>O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C3)C)C)C</smiles> is Peniciversiol C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC(C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> <smiles>CC(C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> is pentaanion of methylmalonyl-CoA arising from deprotonation of carboxy, phosphate and diphosphate OH groups; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .


The molecule <smiles>O(C(COP(=O)(O)O)COC(=O)CCCCCCCC=CCCCCCCCC)C(=O)CCCCCCCC=CCCCCCCCC</smiles> <smiles>O(C(COP(=O)(O)O)COC(=O)CCCCCCCC=CCCCCCCCC)C(=O)CCCCCCCC=CCCCCCCCC</smiles> is A phosphatidic acid (36:2) in which both acyl groups are specified as octadec-9-enoyl. It has the role of mouse metabolite . It has the role of rat metabolite . It is also related to or classified as phosphatidic acid 36:2  .


The molecule <smiles>[O-][Sb]([O-])([O-])=O</smiles> <smiles>[O-][Sb]([O-])([O-])=O</smiles> is A trivalent inorganic anion obtained by removal of all three protons from antimonic acid. It is also related to or classified as antimony oxoanion , trivalent inorganic anion .


The molecule <smiles>O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)CO)C)C</smiles> <smiles>O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)CO)C)C</smiles> is Peniciversiol B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C4=CC=CC=C4)C</smiles> <smiles>O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C4=CC=CC=C4)C</smiles> is Baicalein 7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>Oc1ccc(cc1OS([O-])(=O)=O)-c1oc2cc([O-])cc(O)c2c(=O)c1OS([O-])(=O)=O</smiles> <smiles>Oc1ccc(cc1OS([O-])(=O)=O)-c1oc2cc([O-])cc(O)c2c(=O)c1OS([O-])(=O)=O</smiles> is A flavonoid oxoanion arising from deprotonation of the sulfo and 7-hydroxy groups of quercetin 3,3'-bissulfate; major species at pH 7.3. It is also related to or classified as aryl sulfate oxoanion  . It is also related to or classified as flavonoid oxoanion .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O)O</smiles> is A thiosugar that is beta-D-galactopyranose in which the hydroxy group at position 6 is replaced by a sulfanyl group. It is also related to or classified as thiol  . It is also related to or classified as monosaccharide derivative , thiosugar .