The molecule <smiles>CC(C)C(C(O)C(O)=O)C(O)=O</smiles> <smiles>CC(C)C(C(O)C(O)=O)C(O)=O</smiles> is 3-isopropylmalic acid. Its functional parent is succinic acid . It is a conjugate acid of 3-isopropylmalate(2-) . It is also related to or classified as dicarboxylic fatty acid , 2-hydroxydicarboxylic acid .


The molecule <smiles>[H][C@@]12\C=C(C)\[C@@H](C[C@@H](OC(C)=O)C(C)(C)\C=C\[C@H](C)[C@@H](OC(C)=O)[C@]1(C[C@@H](C)[C@@H]2OC(=O)c1ccccc1)OC(C)=O)OC(C)=O</smiles> <smiles>[H][C@@]12\C=C(C)\[C@@H](C[C@@H](OC(C)=O)C(C)(C)\C=C\[C@H](C)[C@@H](OC(C)=O)[C@]1(C[C@@H](C)[C@@H]2OC(=O)c1ccccc1)OC(C)=O)OC(C)=O</smiles> is A macrocyclic diterpenoid isolated from Euphorbia helioscopia and has been shown to exhibit cytotoxicity against HL-60 cell lines. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as diterpenoid  .  It is also related to or classified as acetate ester  . It is also related to or classified as macrocycle  . It is also related to or classified as benzoate ester .


The molecule <smiles>C[C@H]1[C@@H]2CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(C[C@H]([C@@H]1O)O)C)C)[C@@H](CCC(=C)C(C)C)CO</smiles> is a 3beta-hydroxy steroid that is 4-methylergosta-7,24(28)-dien-3-ol substituted by additional hydroxy groups at positions 2 and 21 (the 2alpha,3beta,4alpha,5alpha stereoisomer). It has been isolated from the roots of Breynia fruticosa and exhibits cytotoxic activity against human cancer cell lines. It has a role as an antineoplastic agent and a plant metabolite. It is a 3beta-hydroxy steroid, a 21-hydroxy steroid and a triol.


The molecule <smiles>C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N</smiles> is a tripeptide composed of one L-lysine and two L-glutamic acid units joined by peptide linkages. It derives from a L-lysine and a L-glutamic acid.


The molecule <smiles>Cc1c(Cl)c(O)c(C=O)c2Oc3cc4OC(C)(C)CC(=O)c4c(C)c3OC(=O)c12</smiles> <smiles>Cc1c(Cl)c(O)c(C=O)c2Oc3cc4OC(C)(C)CC(=O)c4c(C)c3OC(=O)c12</smiles> is A  member of the class of depsidones that is  3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a chloro group at position 9, a hydroxy group at position 10, methyl groups at positions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from Chaetomium brasiliense it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as phenols  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotetracyclic compound , depsidones .


The molecule <smiles>[H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(O)C(=O)[C@@]1(C)OC(C)(C)[C@@]3([H])C=C[C@@H](OC(C)=O)[C@@](COC(C)=O)([C@@H]2OC(C)=O)[C@]13[H]</smiles> <smiles>[H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(O)C(=O)[C@@]1(C)OC(C)(C)[C@@]3([H])C=C[C@@H](OC(C)=O)[C@@](COC(C)=O)([C@@H]2OC(C)=O)[C@]13[H]</smiles> is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). It has the role of metabolite . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor . It is also related to or classified as tertiary alpha-hydroxy ketone  .    It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , cyclic ether , cyclic ketone , tetracyclic diterpenoid .


The molecule <smiles>C[C@H](CC1=CC=C(C=C1)OC)[NH2+]C[C@@H](C2=CC(=C(C=C2)O)NC=O)O</smiles> is an ammonium ion resulting from the protonation of the non-formylated amino group of arformoterol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an arformoterol. It is an enantiomer of a (S,S)-formoterol(1+).


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCCCC)O)O</smiles> is a ceramide that is the N-hexacosanoyl derivative of C20 phytosphingosine. It is a C20 phytoceramide and a N-(very-long-chain fatty acyl)-sphingoid base.


The molecule <smiles>COc1cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c(C)c1C(=O)C=C(C)C</smiles> <smiles>COc1cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c(C)c1C(=O)C=C(C)C</smiles> is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a hydroxy group at position 3, a methoxy group at position 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  .  It is also related to or classified as phenols  .  It is also related to or classified as enone  . It is also related to or classified as organic heterotricyclic compound , aromatic ether , depsidones , aromatic ketone .


The molecule <smiles>CC(=O)N1[C@H]([C@H]([C@@H]1CO)C2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3</smiles> <smiles>CC(=O)N1[C@H]([C@H]([C@@H]1CO)C2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3</smiles> is N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>[C]#N</smiles> <smiles>[C]#N</smiles> is cyanyl. Its functional parent is hydrogen cyanide . It is also related to or classified as organic radical .


The molecule <smiles>C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> <smiles>C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> is 4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1cccnc1</smiles> <smiles>[H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1cccnc1</smiles> is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against urease. It has the role of metabolite . It has the role of EC 3.5.1.5 (urease) inhibitor . Its functional parent is nicotinic acid .   It is also related to or classified as lactol  . It is also related to or classified as acetate ester  . It is also related to or classified as bridged compound , cyclic ether , tetracyclic diterpenoid .


The molecule <smiles>CC1=C[C@@H]2[C@H](CCC(=C2CC1)C)C(C)C</smiles> is a member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,8aS-enantiomer). It is a cadinene and a delta-cadinene. It is an enantiomer of a (+)-delta-cadinene.


The molecule <smiles>C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5.Cl</smiles> is a hydrochloride obtained by combining palonosetron with one molar equivalent of hydrogen chloride; an antiemetic used in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. It has a role as an antiemetic and a serotonergic antagonist. It contains a palonosetron(1+).


The molecule <smiles>CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C</smiles> <smiles>CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C</smiles> is N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(C)=CC(=O)c1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C</smiles> <smiles>CC(C)=CC(=O)c1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C</smiles> is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial, antimycobacterial and cytotoxic activities. It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of antimycobacterial drug . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  .   It is also related to or classified as enone  . It is also related to or classified as polyphenol , organic heterotricyclic compound , depsidones , aromatic ketone .


The molecule <smiles>C1COCCC1CN2[C@@H]([C@H](C23CN(C3)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5)CO</smiles> <smiles>C1COCCC1CN2[C@@H]([C@H](C23CN(C3)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5)CO</smiles> is [(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O</smiles> is a glycosyloxyflavone that is 6-hydroxyluteolin attached to a beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Isolated from Globularia cordifolia and Globularia alypum, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a disaccharide derivative, a tetrahydroxyflavone and a glycosyloxyflavone. It derives from a luteolin.


The molecule <smiles>[H][C@]12[C@@H](OC(=O)CCC)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1ccccc1</smiles> <smiles>[H][C@]12[C@@H](OC(=O)CCC)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1ccccc1</smiles> is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). It has the role of metabolite . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor .    It is also related to or classified as lactol  . It is also related to or classified as acetate ester  . It is also related to or classified as butyrate ester  . It is also related to or classified as bridged compound , benzoate ester , cyclic ether , tetracyclic diterpenoid .


The molecule <smiles>C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O</smiles> is a member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. It has a role as a P450 inhibitor, an environmental contaminant and a xenobiotic. It is a difluorobenzene, a conazole antifungal drug, a triazole antifungal drug and a tertiary alcohol. It derives from a 1,3-difluorobenzene. It derives from a hydride of a 1H-1,2,4-triazole.


The molecule <smiles>C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O</smiles> is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#14. It derives from an oscr#14. It is a conjugate acid of an oscr#14-CoA(4-).


The molecule <smiles>CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C</smiles> <smiles>CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C</smiles> is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of antimalarial . It is also related to or classified as aldehyde  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as polyphenol , organic heterotricyclic compound , depsidones .


The molecule <smiles>[H][C@@]12C[C@@H](O)\C(C)=C\[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C\C</smiles> <smiles>[H][C@@]12C[C@@H](O)\C(C)=C\[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C\C</smiles> is A sesquiterpene lactone that is a 3alpha-hydroxy epimer of heliangin. Isolated from Eupatorium kiirunense, it exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is tiglic acid . It is also related to or classified as epoxide  .  It is also related to or classified as enoate ester  . It is also related to or classified as sesquiterpene lactone .


The molecule <smiles>C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N</smiles> is tetraanion of P(1),P(4)-bis(5'-adenosyl) tetraphosphate arising from deprotonation of the tetraphosphate OH groups; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a P(1),P(4)-bis(5'-adenosyl) tetraphosphate.


The molecule <smiles>CC(=O)[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC</smiles> is an alkaloid, an organic heteropentacyclic compound and a methyl ester. It has a role as a metabolite.


The molecule <smiles>C=1C(=CC(=C2C1C(=C3C(=C2O)C(C[C@@H](C3)O)=O)O)O)C</smiles> <smiles>C=1C(=CC(=C2C1C(=C3C(=C2O)C(C[C@@H](C3)O)=O)O)O)C</smiles> is A member of the class of anthracenones that is 3,4-dihydroanthracen-1(2H)-one substituted by a methyl group at position 6 and by hydroxy groups at positions 3R, 8, 9 and 10, respectively.  It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as anthracenone .


The molecule <smiles>CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C</smiles> <smiles>CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C</smiles> is A member of the class of  depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from  Chaetomium brasiliense it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as polyphenol , organic heterotricyclic compound , depsidones .


The molecule <smiles>ClC([C@H](O)CC1=CC=2NC=3[C@@]4([C@@]5([C@](O)([C@@]67O[C@@H]6[C@@H]8O[C@H]([C@H]9OC9(C)C)OC([C@H]8O[C@H]7CC5)(C)C)CC[C@H]4CC3C2C=C1)C)C)(C)C</smiles> <smiles>ClC([C@H](O)CC1=CC=2NC=3[C@@]4([C@@]5([C@](O)([C@@]67O[C@@H]6[C@@H]8O[C@H]([C@H]9OC9(C)C)OC([C@H]8O[C@H]7CC5)(C)C)CC[C@H]4CC3C2C=C1)C)C)(C)C</smiles> is Tolypocladin J. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)C(=O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)C(=O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> is A glycosyl glycoside which is an intermediate in the breakdown of sucrose. The structure is that of sucrose in which the glucosyl 3-hydroxy group has been reduced to a keto group. It is also related to or classified as glycosyl glycoside , keto-disaccharide .


The molecule <smiles>C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].OS(O)(=O)=O</smiles> <smiles>C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].OS(O)(=O)=O</smiles> is strychnine sulfate. It has the role of poison . Its functional parent is strychnine . It is also related to or classified as organic molecular entity .


The molecule <smiles>[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)\C=C\C(=O)\C(C)=C/2)OC(=O)C(\C)=C\C</smiles> <smiles>[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)\C=C\C(=O)\C(C)=C/2)OC(=O)C(\C)=C\C</smiles> is A sesquiterpene lactone of the heliangolide group isolated from Eupatorium kiirunense and exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is tiglic acid .  It is also related to or classified as enone  . It is also related to or classified as enoate ester  . It is also related to or classified as sesquiterpene lactone .


The molecule <smiles>C(=O)([O-])[O-].[Fe+2]</smiles> is a carbonate salt in which the counter-ion is iron in the +2 oxidation state. It is a carbonate salt, a one-carbon compound, an iron molecular entity and a carbonate mineral.


The molecule <smiles>C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C=O)(C)C(=O)O</smiles> is a C20-gibberellin obtained by selective reduction of the 10beta-carboxy group of gibberellin A53. It is a C20-gibberellin and a gibberellin monocarboxylic acid. It derives from a gibberellin A53.


The molecule <smiles>CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)C4CC4</smiles> <smiles>CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)C4CC4</smiles> is cyclopropyl-[(8R,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>Cc1c(Cl)c(O)c(C=O)c2Oc3c(C)c4C(=O)CC(C)(C)Oc4c(O)c3OC(=O)c12</smiles> <smiles>Cc1c(Cl)c(O)c(C=O)c2Oc3c(C)c4C(=O)CC(C)(C)Oc4c(O)c3OC(=O)c12</smiles> is A member of the class of depsidones that is 3,4-dihydro-H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by a chloro group at position 9, hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as polyphenol , organic heterotetracyclic compound , depsidones .


The molecule <smiles>O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@H](OC)[C@@H]([C@H]4O)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(OC)C(=O)C=C(OC)[C@H]5O)O</smiles> <smiles>O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@H](OC)[C@@H]([C@H]4O)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(OC)C(=O)C=C(OC)[C@H]5O)O</smiles> is Elloramycin D. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .


The molecule <smiles>O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(O[C@@]([C@@H]([C@H](C3)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(O)=O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(C)=O)O)O)O)OCCCN)NC(C)=O</smiles> <smiles>O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(O[C@@]([C@@H]([C@H](C3)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(O)=O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(C)=O)O)O)O)OCCCN)NC(C)=O</smiles> is A branched amino hexasaccharide consisting of a D-glucosyl residue beta-linked to a 3-aminopropyl group and which carries an N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-glucosyl unit linked (1->6) and an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl unit linked (1->4). Its conjugation to the carrier protein CRM197 elicits an immune response to type III Group B Streptococcus (GBSIII) indicating that it may suffice as a synthetic vaccine antigen. Its functional parent is beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)]-beta-D-GlcpNAc . It is also related to or classified as glycoside  . It is also related to or classified as amino hexasaccharide .


The molecule <smiles>[H][C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccoc3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@@]3(OC1(C)C)[C@@H]2OC(=O)C(C)CC)OC(=O)C(C)CC</smiles> <smiles>[H][C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccoc3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@@]3(OC1(C)C)[C@@H]2OC(=O)C(C)CC)OC(=O)C(C)CC</smiles> is A dihydroagarofuran sesquiterpenoid that is beta-dihydroagarofuran substituted by methylbutanoyloxy groups at positions 1 and 6, a hydroxy group at position 4, a benzoyloxy group at position 8, a furancarbonyloxy group at positon 9 and an acetyloxy group at position 13. Isolated from Euonymus nanoides, it exhibits cytotoxic activity. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is 3-furoic acid . Its functional parent is 2-methylbutyric acid .    It is also related to or classified as acetate ester  . It is also related to or classified as bridged compound , benzoate ester , cyclic ether , dihydroagarofuran sesquiterpenoid .


The molecule <smiles>C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O</smiles> is a dipeptide that is Glu-Glu in which one of the amino terminal hydrogens is replaced by a beta-citryl group. It derives from a citric acid and a Glu-Glu.


The molecule <smiles>C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N</smiles> is a dipeptide formed from L-phenylalanine and L-aspartic acid residues. It has a role as a metabolite. It derives from a L-phenylalanine and a L-aspartic acid.


The molecule <smiles>[H]C(CSC)=NO</smiles> <smiles>[H]C(CSC)=NO</smiles> is an aliphatic aldoxime resulting from the formal condensation of 2-(methylsulfanyl)acetaldehyde with hydroxylamine. Its functional parent is (methylsulfanyl)acetaldehyde . It is also related to or classified as aliphatic aldoxime  . It is also related to or classified as methyl sulfide  .


The molecule <smiles>CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@@H](C)Oc3cc12</smiles> <smiles>CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@@H](C)Oc3cc12</smiles> is A biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2' and 3 (the 2R,3R stereoisomer). It has been isolated from Chaetomium gracile. It has the role of Chaetomium metabolite . It is also related to or classified as phenols  . It is also related to or classified as biaryl , benzochromenone .


The molecule <smiles>CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)NCCOP(=O)([O-])OC[C@@H](CO)O</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl; major species at pH 7.3. It is a conjugate base of a N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphoethanolamine.


The molecule <smiles>C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O</smiles> is a dpeptide obtained by formal condensation of the carboxy group of L-pyroglutamine with the amino group of L-glutamine It has a role as a human metabolite. It is a conjugate acid of a pyroglutamylglutaminate.


The molecule <smiles>CC(=O)[C@@H]1CCC(=C)C(=O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O</smiles> <smiles>CC(=O)[C@@H]1CCC(=C)C(=O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O</smiles> is A sesquiterpenoid that is a carboxylic ester obtained by the formal condensation of the 6-hydroxy group of cyclodec-4-en-1-one which is also substituted by an acetyl, a methyl and a methylidene group at positions 7, 4 and 10 respectively with the carboxy group of pent-2-enoic acid substituted with a hydroxy and a methyl group at position 4. It is an antiplasmodial drug isolated from a Caribbean gorgonian coral Eunicea sp. It has the role of metabolite . It has the role of antiplasmodial drug .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as carboxylic ester  . It is also related to or classified as sesquiterpenoid , cyclic ketone .


The molecule <smiles>CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O</smiles> is a tetrahydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1-hydroxyhexyl substituent at position 2. It has a role as a fungal metabolite. It is a polyketide and a tetrahydroxyanthraquinone.


The molecule <smiles>C/C/1=C\\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C</smiles> is a beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves. It has a role as a non-steroidal anti-inflammatory drug, a fragrance, a metabolite and an insect attractant. It is an enantiomer of a (+)-beta-caryophyllene.


The molecule <smiles>O([C@H]1[C@@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O</smiles> <smiles>O([C@H]1[C@@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O</smiles> is A glycosylgalactose that is beta-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-arabinopyranosyl derivative. Its functional parent is beta-D-galactose . Its functional parent is alpha-L-arabinopyranose . It is also related to or classified as glycosylgalactose .


The molecule <smiles>C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C)OC</smiles> <smiles>C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C)OC</smiles> is LSM-38641. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C</smiles> <smiles>[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C</smiles> is an organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. It has the role of antioxidant . It has the role of antimicrobial agent . It has the role of physical tracer . It has the role of antidepressant . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of antimalarial . It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It has the role of acid-base indicator . It has the role of fluorochrome . It has the role of neuroprotective agent . It has the role of histological dye . It has the role of cardioprotective agent . It has the role of EC 4.6.1.2 (guanylate cyclase) inhibitor . It is also related to or classified as organic chloride salt .


The molecule <smiles>O1C23C1CCC4(C2=C(C5(O)C(O)(C3)C(=O)C(C6C5(OC(=O)C6)C)(C)C)C(OC4C=7C=COC7)=O)C</smiles> <smiles>O1C23C1CCC4(C2=C(C5(O)C(O)(C3)C(=O)C(C6C5(OC(=O)C6)C)(C)C)C(OC4C=7C=COC7)=O)C</smiles> is Dukunolide E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2C(O)=O)O</smiles> <smiles>O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2C(O)=O)O</smiles> is an amino disaccharide consisting of 2-acetamido-beta-D-glucopyranose and beta-D-glucopyranuronic acid residues joined in sequence by a (1->4)-glycosidic bond. Its functional parent is N-acetyl-beta-D-glucosamine . Its functional parent is beta-D-glucuronic acid . It is also related to or classified as acetamides , amino disaccharide , monocarboxylic acid .


The molecule <smiles>CC(=O)[C@@H]1CCC(=C)[C@@H](O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O</smiles> <smiles>CC(=O)[C@@H]1CCC(=C)[C@@H](O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O</smiles> is Eunicea sesquiterpenoid 6. It has the role of metabolite . It is also related to or classified as fatty acid ester  .


The molecule <smiles>C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl</smiles> is a N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. It has a role as a H1-receptor antagonist, an anxiolytic drug, a dermatologic drug, an antipruritic drug and an anticoronaviral agent. It is a N-alkylpiperazine, a hydroxyether and a member of monochlorobenzenes.


The molecule <smiles>CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)OC)O)/C)/C)/C)/C)/C)/C)/C)C</smiles> is a 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid in which the polyprenyl component is specified as octaprenyl. It is a conjugate acid of a 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate.


The molecule <smiles>C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@H](C)Oc3cc12</smiles> <smiles>C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@H](C)Oc3cc12</smiles> is A biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2', 3 and 3' (the 2R,2'S,3R,3'R stereoisomer). It has been isolated from Chaetomium gracile. It has the role of Chaetomium metabolite . It is also related to or classified as phenols  . It is also related to or classified as biaryl , benzochromenone .


The molecule <smiles>CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@@H]2CO)C(=O)NC4=CC=CC=C4F</smiles> <smiles>CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@@H]2CO)C(=O)NC4=CC=CC=C4F</smiles> is (8S,9R,10S)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OC)C</smiles> is a member of the class of thioureas that is 3,4-dihydropyrimidine-2(1H)-thione substituted by a 3-methoxyphenyl group at position 4, a methyl group at position 6 and a ethoxycarbonyl group at position 5. It is a pyrimidinecarboxylate ester, an aromatic ether, a member of thioureas and an ethyl ester.


The molecule <smiles>[H][C@]12[C@H](OC(=O)\C=C\C(C)(C)O)[C@@H](CC[C@]1(C)[C@@H](O)CCC2=C)C(C)=O</smiles> <smiles>[H][C@]12[C@H](OC(=O)\C=C\C(C)(C)O)[C@@H](CC[C@]1(C)[C@@H](O)CCC2=C)C(C)=O</smiles> is Eunicea sesquiterpenoid 5. It has the role of metabolite . It is also related to or classified as fatty acid ester  .


The molecule <smiles>CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]/4[C@@H]3C/C=C\\C(=O)NCC[C@H]([C@H]5C(=O)/C(=C(\\C=C4)/O)/C(=O)N5)O)C</smiles> is a polyketide macrolactam containing a tetramic acid (pyrrolidine-2,4-dione) ring system. It is the 3-hydroxyl derivative of ikarugamycin and isolated from Micromonospora sp. K310. It has a role as a marine metabolite, a bacterial metabolite and an antibacterial agent. It is an azamacrocycle, an organic heteropentacyclic compound, an enone, a lactam and a polyketide. It derives from an ikarugamycin.


The molecule <smiles>CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1</smiles> is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a quinoxalin-2-ol.


The molecule <smiles>[H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@]1([H])C2)N(C)C</smiles> <smiles>[H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@]1([H])C2)N(C)C</smiles> is an organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy groups and protonation of the non-aromatic tertiary amino group. It is also related to or classified as organic anion .


The molecule <smiles>Oc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1</smiles> <smiles>Oc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1</smiles> is A tetrahydroxyanthraquinonen that is 9,10-anthraquinone substituted by hydroxy groups at positions 1, 3, 6 and 8. It has been isolated from Chaetomium globosum and Leptographium wageneri. It has the role of Chaetomium metabolite . It is also related to or classified as tetrahydroxyanthraquinone .


The molecule <smiles>CC(C)NC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(C(C)C)C(=O)COC</smiles> <smiles>CC(C)NC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(C(C)C)C(=O)COC</smiles> is (2S,3R,4S)-2-(hydroxymethyl)-4-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]-3-phenyl-N-propan-2-yl-1-azetidinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>[H][C@]12CS[C@@H](CCCCC(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2</smiles> <smiles>[H][C@]12CS[C@@H](CCCCC(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2</smiles> is biotinyl-5'-AMP. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is biotin . Its functional parent is adenosine 5'-monophosphate . It is a conjugate acid of biotinyl-5'-AMP(1-) . It is also related to or classified as purine ribonucleoside 5'-monophosphate .


The molecule <smiles>[H][C@@]12OC(=O)[C@@H](C)[C@]1([H])CCC(=C)[C@@H](O)CC\C(C)=C\2</smiles> <smiles>[H][C@@]12OC(=O)[C@@H](C)[C@]1([H])CCC(=C)[C@@H](O)CC\C(C)=C\2</smiles> is Eunicea sesquiterpenoid 3. It has the role of metabolite . It has the role of antimalarial . It is also related to or classified as secondary alcohol  . It is also related to or classified as germacrane sesquiterpenoid .


The molecule <smiles>C[C@H]1C(=O)[C@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)O</smiles> is a dTDP-sugar having 4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose as the sugar component. It is a dTDP-sugar and a tertiary alpha-hydroxy ketone. It derives from a dTDP-L-glucose.


The molecule <smiles>CC(=CCC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(C(=C(C=C3)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)C5=CC=CN5)O)Cl)OC2=O)O)O)C</smiles> is a hydroxycoumarin antibiotic with formula C34H35ClN2O11, that is produced by Streptomyces roseochromogenes It has a role as an antimicrobial agent and a bacterial metabolite. It is a hexoside, a hydroxycoumarin, a monosaccharide derivative, a member of benzamides, an organochlorine compound, a member of pyrroles, an ether and a member of phenols.


The molecule <smiles>C(CCCSC)=NO</smiles> <smiles>C(CCCSC)=NO</smiles> is an aliphatic aldoxime resulting from the formal condensation of 4-(methylsulfanyl)butanal with hydroxylamine. It is also related to or classified as aliphatic aldoxime  . It is also related to or classified as methyl sulfide  .


The molecule <smiles>COC(=O)c1c(O)ccc2oc3cccc(O)c3c(=O)c12</smiles> <smiles>COC(=O)c1c(O)ccc2oc3cccc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8 and an oxo group at position 9. It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as polyphenol , xanthones , aromatic ester .


The molecule <smiles>C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCC[C@H](CC(=O)O)O)O)O</smiles> is an omega-hydroxy fatty acid ascaroside that is oscr#10 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an omega-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from an oscr#10 and a (3R)-3,9-dihydroxynonanoic acid. It is a conjugate acid of a bhos#10(1-).


The molecule <smiles>[H][C@@]12CC[C@]3(C)[C@@H](O)CCC(=C)[C@@]3([H])[C@]1([H])OC(=O)[C@H]2C</smiles> <smiles>[H][C@@]12CC[C@]3(C)[C@@H](O)CCC(=C)[C@@]3([H])[C@]1([H])OC(=O)[C@H]2C</smiles> is A eudesmane sesquiterpenoid in which the eudesmane skeleton is substituted with an alpha-hydroxy group at C-1 (eudesmane numbering) and a methylidene group at C-4, and includes a lactone ring formed between C-12 and a beta-hydroxy group at C-6. It is isolated from Eunicea sp. and exhibits significant inhibitory effect upon the growth of the malarial parasite Plasmodium falciparum. It has the role of metabolite . It has the role of antimalarial .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , eudesmane sesquiterpenoid .


The molecule <smiles>C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)N</smiles> is an acridinium ion resulting from the protonation of the ring nitrogen of 9-aminoacridine. The major species at pH 7.3. It is a conjugate acid of a 9-aminoacridine.


The molecule <smiles>CC1=CC(=O)C2=C(C1=O)C=CC=C2O</smiles> is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has a role as a metabolite, an immunological adjuvant, an anticoagulant and an antineoplastic agent. It is a member of phenols and a hydroxy-1,4-naphthoquinone.


The molecule <smiles>O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@@H](C(N[C@H]1CC4=CC=CC=C4)=O)CCC3)CC(C)C)CCC2</smiles> <smiles>O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@@H](C(N[C@H]1CC4=CC=CC=C4)=O)CCC3)CC(C)C)CCC2</smiles> is Provipeptide A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>OC(=O)c1cccc2oc3cccc(O)c3c(=O)c12</smiles> <smiles>OC(=O)c1cccc2oc3cccc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is 9H-xanthene substituted by a hydroxy group at position 8, an oxo group at position 9 and a carboxy group at position 1. It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite . It is also related to or classified as phenols  . It is also related to or classified as hydroxy monocarboxylic acid , xanthones .


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C</smiles> is N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H]1C(=O)N(CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C</smiles> <smiles>C[C@H]1C(=O)N(CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C</smiles> is LSM-38654. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CCC(=C(C)C)[C@@]21[H]</smiles> <smiles>[H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CCC(=C(C)C)[C@@]21[H]</smiles> is an organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzaldehydes , resorcinols , cyclic ether , organic heterotetracyclic compound .


The molecule <smiles>CC(C)CC(=O)C1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O</smiles> is a beta-D-glucoside compound having a (3-methylbutanoyl)phloroglucinyl moiety at the anomeric position. Isolated from the whole plant of Indigofera heterantha, it exhibits lipoxygenase inhibitory activity. It has a role as a metabolite and a lipoxygenase inhibitor. It is a beta-D-glucoside, a polyphenol and an aromatic ketone. It derives from a phloroglucinol.


The molecule <smiles>CCCCCCCCC1=C(C1)CCCCCCCC(=O)O</smiles> is a long-chain, monounsaturated fatty acid composed of 9-octadecenoic acid having a 9,10-cyclopropenyl group. It is a cyclopropenyl fatty acid, a long-chain fatty acid and a monounsaturated fatty acid. It derives from an octadec-9-enoic acid.


The molecule <smiles>C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C)OC</smiles> <smiles>C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C)OC</smiles> is LSM-38642. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CN(C)C</smiles> <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CN(C)C</smiles> is N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>COc1ccc2oc3cccc(O)c3c(=O)c2c1O</smiles> <smiles>COc1ccc2oc3cccc(O)c3c(=O)c2c1O</smiles> is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy group at positions 1 and 8 and a methoxy group at position 2. It has been isolated from Chaetomium globosum.( Compound class : xanthenone). It has the role of Chaetomium metabolite . It is also related to or classified as polyphenol , aromatic ether , xanthones .


The molecule <smiles>C(C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)CN=C(N)N</smiles> is a tetrapeptide composed of L-arginine, L-asparagine, L-glutamine, and L-arginine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-arginine, a L-asparagine and a L-glutamine.


The molecule <smiles>[H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CC[C@H]([C@@]21[H])C(C)(C)O</smiles> <smiles>[H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CC[C@H]([C@@]21[H])C(C)(C)O</smiles> is an organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzaldehydes , resorcinols , cyclic ether , organic heterotetracyclic compound .


The molecule <smiles>C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O</smiles> is a ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond. It has a role as a human metabolite, a fundamental metabolite and a drug metabolite. It derives from a uracil.


The molecule <smiles>CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24</smiles> is an organic heterotetracyclic compound that is 2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole bearing methyl and chloro substituents at positions 2 and 5 respectively. It is an organic heterotetracyclic compound, an organochlorine compound, a cyclic ether and a tertiary amino compound.


The molecule <smiles>OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)n1ccc(=O)[nH]c1=O</smiles> <smiles>OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)n1ccc(=O)[nH]c1=O</smiles> is A 2',3'-cyclic pyrimidine nucleotide in which uridine is the parent nucleoside. It has the role of Escherichia coli metabolite . It is a conjugate acid of 2',3'-cyclic UMP(1-) . It is also related to or classified as 2',3'-cyclic pyrimidine nucleotide .


The molecule <smiles>CO[C@H]1Cc2oc3cccc(O)c3c(=O)c2[C@@](O)([C@@H]1O)C(=O)OC</smiles> <smiles>CO[C@H]1Cc2oc3cccc(O)c3c(=O)c2[C@@](O)([C@@H]1O)C(=O)OC</smiles> is A member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 3 (the 1R,2R,3S stereoisomer). It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as ether  . It is also related to or classified as phenols  . It is also related to or classified as xanthones .


The molecule <smiles>[H][C@@]12[C@@H](CCC(=C)[C@]1(O)CC[C@]1(C)[C@H](CC(C)C)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@H]21)C(C)=C</smiles> <smiles>[H][C@@]12[C@@H](CCC(=C)[C@]1(O)CC[C@]1(C)[C@H](CC(C)C)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@H]21)C(C)=C</smiles> is an organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzaldehydes , resorcinols , cyclic ether , organic heterotetracyclic compound .


The molecule <smiles>C1=CC=C(C=C1)C[C@H](C(=O)O)[NH3+]</smiles> is an optically active form of phenylalaninium having D-configuration. It is a conjugate acid of a D-phenylalanine. It is an enantiomer of a L-phenylalaninium.


The molecule <smiles>CC(C)N(CCCCOCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3</smiles> is a member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension. It has a role as an orphan drug, a platelet aggregation inhibitor, a prostacyclin receptor agonist, a vasodilator agent and a drug metabolite. It is an aromatic amine, an ether, a member of pyrazines, a sulfonamide, a tertiary amino compound and a monocarboxylic acid.


The molecule <smiles>OC1Oc2cc([O-])cc(O)c2C(=O)C1c1ccc(O)cc1</smiles> <smiles>OC1Oc2cc([O-])cc(O)c2C(=O)C1c1ccc(O)cc1</smiles> is an organic anion that is the 7-oxoanion of 2-hydroxy-2,3-dihydrogenistein. It is also related to or classified as organic anion .


The molecule <smiles>COC(=O)[C@]1(O)[C@H](O)C=Cc2oc3cccc(O)c3c(=O)c12</smiles> <smiles>COC(=O)[C@]1(O)[C@H](O)C=Cc2oc3cccc(O)c3c(=O)c12</smiles> is A member of the class of xanthones that is methyl 9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate  substituted by hydroxy groups at positions 1, 2 and 8 (the 1R,2R stereoisomer). Isolated from Chaetomium globosum, it exhibits cytotoxicity towards human tumour cell lines. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as phenols  . It is also related to or classified as xanthones .


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3</smiles> is 4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@]12C[C@]1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C</smiles> is an azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases. It has a role as an antifungal agrochemical. It is an azabicycloalkane and a dichlorophenyl dicarboximide fungicide.


The molecule <smiles>[H][C@]1(C[C@H](O)CCC[C@@H](C\C=C/C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1)OC)[C@H](C)[C@H](O)\C=C(C)\C=C\C=C\C=C\C=C\C=C\C[C@H](O)\C=C(/C)CCC(O)=O</smiles> <smiles>[H][C@]1(C[C@H](O)CCC[C@@H](C\C=C/C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1)OC)[C@H](C)[C@H](O)\C=C(C)\C=C\C=C\C=C\C=C\C=C\C[C@H](O)\C=C(/C)CCC(O)=O</smiles> is A macrolide antibiotic isolated from the culture broth of the myxobacterium Sorangium cellulosum and has been found to be active against Gram-positive bacteria. It has the role of metabolite . It has the role of antibacterial agent . It is also related to or classified as macrolide antibiotic , hydroxy monocarboxylic acid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O</smiles> is a mycolate ester formed by esterification of (2R,3R)-3-hydroxy-2-tetradecyldocosanoic acid with the 6-OH of beta-D-glucose. It derives from a D-glucopyranose.


The molecule <smiles>CC(C)C(=O)/C=C\\C(=C(/C(=O)O)\\[O-])\\C(=O)[O-]</smiles> is a hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy groups of 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid; major species at pH 7.3. It derives from an octa-2,4-dienoate. It is a conjugate base of a 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid.


The molecule <smiles>COC1OC(C)=Cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c12</smiles> <smiles>COC1OC(C)=Cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c12</smiles> is an organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by hydroxy groups at positions 7 and 8, a methoxy group at position 1, a methyl group at position 3 and an oxo group at position 10. Isolated from Chaetomium funicola, it exhibits inhibitory activity against metallo-beta-lactamases. It has the role of EC 3.5.2.6 (beta-lactamase) inhibitor . It has the role of Chaetomium metabolite .   It is also related to or classified as catechols  . It is also related to or classified as monocarboxylic acid , organic heterotricyclic compound , cyclic ether , cyclic ketone .


The molecule <smiles>CC[C@@H](C)c1cc(=O)c2c(CO)cc3C(=O)c4cccc(O)c4C(=O)c3c2o1</smiles> <smiles>CC[C@@H](C)c1cc(=O)c2c(CO)cc3C(=O)c4cccc(O)c4C(=O)c3c2o1</smiles> is A  naphthochromene that is 4H-naphtho[2,3-h]chromene which is substituted at position 2 by a (2R)-butan-2-yl group, at position 5 by a hydroxymethyl group, at position 11 by a hydroxy group, and at positions 4, 7, and 12 by oxogroups. An antibiotic isolated from Streptomyces sp. cu39, it exerts a potent protecting effect on neuronal cells through suppressing L-glutamate toxicity. It has the role of metabolite . It has the role of antimicrobial agent .   It is also related to or classified as phenols  . It is also related to or classified as benzyl alcohols , p-quinones , naphthochromene .


The molecule <smiles>C[C@H]1[C@@H]2C[NH+]3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45</smiles> is an ammonium ion resulting from the protonation of the tertiary amino group of tetrahydroalstonine. The major microspecies at pH 7.3. It is a conjugate acid of a tetrahydroalstonine.


The molecule <smiles>C([C@@H]1[C@H]([C@@H](C(O1)O)O)O)OP(=O)(O)O</smiles> is the furanose form of D-arabinose 5-phosphate. It derives from a D-arabinofuranose. It is a conjugate base of a D-arabinofuranose 5-phosphate(2-).


The molecule <smiles>CN(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)CC4CC4</smiles> <smiles>CN(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)CC4CC4</smiles> is [(8R,9S,10S)-6-(cyclopropylmethyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>Cc1cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c2cn1</smiles> <smiles>Cc1cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c2cn1</smiles> is A  pyridochromene that is 10H-chromeno[3,2-c]pyridine substituted by hydroxy groups at positions 7 and 8, a methyl group at position 3, an oxo group at position 10 and a carboxy group at position 9. Isolated from Chaetomium funicola, it exhibits inhibitory activity against metallo-beta-lactamases. It has the role of EC 3.5.2.6 (beta-lactamase) inhibitor . It has the role of Chaetomium metabolite .  It is also related to or classified as catechols  . It is also related to or classified as monocarboxylic acid , cyclic ketone , pyridochromene .


The molecule <smiles>CN(C)c1ccc(O)c2C(=O)C3=C(O)[C@@]4(O)[C@@H](C[C@@H]3Cc12)[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C4=O</smiles> <smiles>CN(C)c1ccc(O)c2C(=O)C3=C(O)[C@@]4(O)[C@@H](C[C@@H]3Cc12)[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C4=O</smiles> is A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of minocycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of minocycline(1-) . It is also related to or classified as a tetracycline zwitterion  . It is also related to or classified as zwitterion  .


The molecule <smiles>[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(NC[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@@H]5OC(C)=O)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@]1([H])O[C@H](CO)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> <smiles>[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(NC[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@@H]5OC(C)=O)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@]1([H])O[C@H](CO)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is A steroid saponin that is spirosolane-3,23,27-triol in which the hydroxy group at position 23 is acetylated and the hydroxy groups at positions 3 and 27 are glycosylated by lycotetraosyl and a beta-D-glucopyranosyl moieties respectively. Isolated from the fruits of Lycopersicon esculentum, it exhibits cytotoxic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as steroid alkaloid , azaspiro compound , oxaspiro compound , steroid saponin , saponin .


The molecule <smiles>CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl</smiles> is a member of the class of imidazoles carrying dimethylsulfamyl, cyano, chloro and 4-tolyl substituents at positions 1, 2, 4 and 5 respectively. A fungicide used mainly for controlling Oomycete and Plasmodiophora diseases on potatoes and tomatoes. It is a skin and eye irritant and is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a member of imidazoles, an organochlorine compound, a nitrile, a member of sulfamides, a sulfonamide fungicide and an imidazole fungicide.


The molecule <smiles>CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O</smiles> is the S-(3-oxopalmitoyl) derivative of coenzyme A. It has a role as an Escherichia coli metabolite and a mouse metabolite. It derives from a palmitoyl-CoA and a 3-oxopalmitic acid. It is a conjugate acid of a 3-oxopalmitoyl-CoA(4-).


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4CC4</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4CC4</smiles> is N-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H](O)[C@H](O)C(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> <smiles>C[C@H](O)[C@H](O)C(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> is A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3S,4S)-1,3,4-trihydroxypentan-2-one. It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as resorcinols , benzoate ester .


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)C(=O)O</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)C(=O)O</smiles> is 4-[[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl-methylamino]methyl]benzoic acid. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)C</smiles> is a 7-hydroxyisoflavone that is daidzein in which the aromatic hydrogen at position 8 has been replaced by a prenyl group. It has a role as a plant metabolite. It is a member of 7-hydroxyisoflavones, a polyphenol and an olefinic compound. It derives from a daidzein.


The molecule <smiles>COc1c(O)cc(cc1CC=C(C)C)[C@@H]1CC(=O)c2ccc(O)cc2O1</smiles> <smiles>COc1c(O)cc(cc1CC=C(C)C)[C@@H]1CC(=O)c2ccc(O)cc2O1</smiles> is A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a prenyl group at position 5'. Isolated from Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has the role of antimicrobial agent . It has the role of radical scavenger . It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as 4'-methoxyflavanones  . It is also related to or classified as monomethoxyflavanone , dihydroxyflavanone , 3'-hydroxyflavanones .


The molecule <smiles>[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O</smiles> is dicarboxylate anion of D-glucaric acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a D-glucarate(1-).


The molecule <smiles>CC1=CC(=CC(=C1N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])OC)Cl)S(=O)(=O)[O-].[Na+].[Na+]</smiles> is a organic sodium salt that is the disodium salt of an azo-substituted pyrazolinone sulfonic acid compound. It has a role as a dye. It is a member of pyrazoles, an azo compound and an organic sodium salt.


The molecule <smiles>C[C@H](O)CC(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> <smiles>C[C@H](O)CC(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> is A benzoate ester obtained by the formal condensation of o-orsellinic acid with (4S)-1,4-dihydroxypentan-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of Chaetomium metabolite . Its functional parent is o-orsellinic acid . It is also related to or classified as resorcinols , benzoate ester .


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3</smiles> is N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CN(C1=CC=C(C2=NON=C12)[N+](=O)[O-])[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)NCCC(=O)O</smiles> is a tetrapeptide comprising in sequence an alpha-aspartyl residue, two lysyl residues and a beta-alanyl residue, to the nitrogen of the aspartyl residue of which are linked both a methyl group and a 7-nitro-2,1,3-benzoxadiazol-4-yl moiety, while the epsilon nitrogen of the lysyl(II) residue carries a biotin moiety. It is used a peptide probe, with the biotin moiety finding application in immunoassays. It has a role as a peptide probe and a peptide allergen.


The molecule <smiles>CC1(C)Oc2c(O)cc(cc2C=C1)-c1coc2cc(O)ccc2c1=O</smiles> <smiles>CC1(C)Oc2c(O)cc(cc2C=C1)-c1coc2cc(O)ccc2c1=O</smiles> is A member of the class of 7-hydroxyisoflavones that is isoflavone with hydroxy groups at C-7 and C-3' positions and a 2,2-dimethylpyran ring fused to ring B across positions C-4' and C-5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of radical scavenger . It is also related to or classified as 7-hydroxyisoflavones  .


The molecule <smiles>CC(C)(C=C)[C@]12C=C(C(=O)N\\3[C@@]1(NC(=O)/C3=C\\C4=CN=CN4)N(C5=CC=CC=C25)OC)O</smiles> is an indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum. It has a role as a Penicillium metabolite. It is an organic heterotetracyclic compound, a member of imidazoles, a lactam, an enol and an indole alkaloid. It derives from a glandicoline B.


The molecule <smiles>COC(=O)C1=C(C2=CC=CC=C2C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O</smiles> is a member of the class of naphthols that is naphthalen-1-ol substituted by a beta-D-glucopyranosyloxy residue at position 4 and a methoxycarbonyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has a role as a metabolite and a plant metabolite. It is an aromatic ester, a member of naphthols, a monosaccharide derivative and a beta-D-glucoside.


The molecule <smiles>C(CCSC)=NO</smiles> <smiles>C(CCSC)=NO</smiles> is an aliphatic aldoxime resulting from the formal condensation of 3-(methylsulfanyl)propanal with hydroxylamine. It is also related to or classified as aliphatic aldoxime  . It is also related to or classified as methyl sulfide  .


The molecule <smiles>C\C=C\C(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> <smiles>C\C=C\C(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> is A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3E)-1-hydroxypent-3-en-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite . Its functional parent is o-orsellinic acid . It is also related to or classified as resorcinols , benzoate ester .


The molecule <smiles>N1([C@H]2C(C3=C4C(=CC=C3)NC=C4C2)=CC(C1)=C)C</smiles> <smiles>N1([C@H]2C(C3=C4C(=CC=C3)NC=C4C2)=CC(C1)=C)C</smiles> is Lysergene. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .


The molecule <smiles>C1OCOO1</smiles> <smiles>C1OCOO1</smiles> is A member of the class of trioxolanes that is cyclopentane in which the carbon atoms at positions 1, 2 and 4 are replaced by oxygen atoms. It is also related to or classified as trioxolane .


The molecule <smiles>COc1c(O)cc(cc1CC=C(C)C)-c1coc2cc(O)ccc2c1=O</smiles> <smiles>COc1c(O)cc(cc1CC=C(C)C)-c1coc2cc(O)ccc2c1=O</smiles> is A member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 7 and 3' positions, a methoxy group at the 4' position and a prenyl group at position 5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of radical scavenger . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as 7-hydroxyisoflavones  .


The molecule <smiles>C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32</smiles> is an angular ortho-fused polycyclic arene consisting of four fused benzene rings. It is an ortho-fused polycyclic arene and a member of tetraphenes.


The molecule <smiles>COC1=CC=C(C=C1)CC(C#N)/C(=C/C2=CC(=C(C=C2)OC)OC)/C#N</smiles> is a dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and 3,4-dimethoxybenzylidene groups at positions 3 and 2 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is a member of methoxybenzenes and a dinitrile.


The molecule <smiles>C1=CC(=CC=C1[C@H]2[C@@H](OC3=C(C2=O)C=CC(=C3)O)O)O</smiles> is a hydroxyisoflavanones that is isoflavanone bearing hydroxy groups at the 2, 7 and 4' positions, with R and S configurations at C-2 and C-3 respectively.


The molecule <smiles>C[C@@H]1O[C@@H](CC2Cc3cc(O)cc(O)c3C(=O)O2)CCC1O</smiles> <smiles>C[C@@H]1O[C@@H](CC2Cc3cc(O)cc(O)c3C(=O)O2)CCC1O</smiles> is A member of the class of  isocoumarins that is asperentin substituted by an additional hydroxy group at position 5'. It has been isolated from Chaetomium globosum and Aspergillus flavus. It has the role of Aspergillus metabolite . It has the role of Chaetomium metabolite . Its functional parent is asperentin . It is also related to or classified as pyrans , resorcinols , isocoumarins .


The molecule <smiles>[H][C@@]12COc3c(CC=C(C)C)c(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(O)ccc21</smiles> <smiles>[H][C@@]12COc3c(CC=C(C)C)c(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(O)ccc21</smiles> is A member of the class of pterocarpans that is 3,9-dihydroxypterocarpan substituted with prenyl groups at positions 4 and 10 (the 6aR,11aR stereoisomer). Isolated from Erythrina stricta and Erythrina zeyheri, it exhibits antibacterial, antimycobacterial, antiplasmodial and cytotoxic activities. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antiplasmodial drug . It has the role of plant metabolite . Its functional parent is (6aR,11aR)-3,9-dihydroxypterocarpan . It is also related to or classified as pterocarpans  . It is also related to or classified as phenols  .


The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)[O-])O)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C[NH3+])O)O)O)O</smiles> is a methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the CH2OH of the galactose within the trisaccharide chain is replaced by anionic carboxylate, the hydroxy group at position 6 of the galactose residue linked to O-4 of the reducing end glucosaminyl residue is replaced by an ammoniumyl group and the hydroxy group at the reducing-end anomeric centre is methylated. It contains an azaniumyl group. It derives from a beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc.


The molecule <smiles>C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C(=C/C(=O)O)\\C(=O)O</smiles> is a fumarate salt prepared from tenofovir alafenamide by reaction of one molecule of fumaric acid for every two molecules of tenofovir alafenamide. A prodrug for tenofovir, it is used in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug, a HIV-1 reverse transcriptase inhibitor and a prodrug. It contains a tenofovir alafenamide(1+).


The molecule <smiles>C1C2(CN1C(=O)C3=CC=CC=C3)[C@H]([C@H](N2CC4=C(C=CC(=C4)F)F)CO)C5=CC=CC=C5</smiles> <smiles>C1C2(CN1C(=O)C3=CC=CC=C3)[C@H]([C@H](N2CC4=C(C=CC(=C4)F)F)CO)C5=CC=CC=C5</smiles> is [(2S,3S)-1-[(2,5-difluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>[H][C@@]1(CCC[C@H](C)O1)CC1Cc2cc(O)cc(OC)c2C(=O)O1</smiles> <smiles>[H][C@@]1(CCC[C@H](C)O1)CC1Cc2cc(O)cc(OC)c2C(=O)O1</smiles> is A member of the class of  isocoumarins that is asperentin in which the hydroxy group at position 8 has been replaced by a methoxy group. It is a fungal metabolite isolated from Chaetomium globosum. It has the role of Chaetomium metabolite . Its functional parent is asperentin .  It is also related to or classified as phenols  . It is also related to or classified as pyrans , aromatic ether , isocoumarins .


The molecule <smiles>C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4CC4</smiles> <smiles>C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4CC4</smiles> is N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F</smiles> <smiles>C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F</smiles> is N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C1C[C@]2(CC[C@@]1(CC(NCC(N)(C)C)=O)[H])OC3(OO2)C4CC5CC3CC(C5)C4.C(=C\C(=O)O)\C(=O)O</smiles> <smiles>C1C[C@]2(CC[C@@]1(CC(NCC(N)(C)C)=O)[H])OC3(OO2)C4CC5CC3CC(C5)C4.C(=C\C(=O)O)\C(=O)O</smiles> is the maleic acid salt of arterolane. It is an antimalarial drug used as a fixed combination with piperaquine. It has the role of antimalarial . It has the role of antiplasmodial drug . It is also related to or classified as maleate salt .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC</smiles> is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as stearoyl (octadecanoyl). It is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphate and a phosphatidic acid 36:2. It derives from an octadecanoic acid. It is a conjugate acid of a 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate(2-).


The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1</smiles> <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A a disaccharide derivative consisting of eriodictyol beta-D-glucoside having a beta-D-glucosyl residue attached at the 2-position. Isolated from the aerial parts of Globularia alypum, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . Its functional parent is eriodictyol . It is also related to or classified as 3'-hydroxyflavanones , disaccharide derivative , flavanone glycoside .


The molecule <smiles>C[NH+](C)C</smiles> is an ammonium ion that is the conjugate acid of trimethylamine, obtained via protonation of the nitrogen; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a trimethylamine.


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1</smiles> is a macamide resulting from the formal condensation of the carboxy group of hexadecanoic acid with benzylamine. A moderate inhibitor of fatty acid amide hydrolase. It has a role as a neuroprotective agent, a plant metabolite and an EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor. It is a secondary carboxamide and a macamide. It derives from a hexadecanoic acid and a benzylamine.


The molecule <smiles>C12=C(C(=CC=N1)O)C=CC=C2</smiles> <smiles>C12=C(C(=CC=N1)O)C=CC=C2</smiles> is A monohydroxyquinoline carrying a hydroxy group at position 4. It is also related to or classified as monohydroxyquinoline .


The molecule <smiles>COc1cc(O)cc2CC(C[C@H]3CCC(O)[C@H](C)O3)OC(=O)c12</smiles> <smiles>COc1cc(O)cc2CC(C[C@H]3CCC(O)[C@H](C)O3)OC(=O)c12</smiles> is A member of the class of  isocoumarins that is asperentin-8-O-methylether substituted by a hydroxy group at position 5'. It has been isolated from  Chaetomium globosum and Aspergillus flavus. It has the role of Aspergillus metabolite . It has the role of Chaetomium metabolite . Its functional parent is asperentin .  It is also related to or classified as phenols  . It is also related to or classified as pyrans , aromatic ether , isocoumarins .


The molecule <smiles>O([C@H]1[C@H](O)[C@@H](O)[C@@H](OC1)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O</smiles> <smiles>O([C@H]1[C@H](O)[C@@H](O)[C@@H](OC1)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O</smiles> is A glycosylxylose consisting of beta-D-glucopyranuronic acid and beta-D-xylopyranose joined in sequence by a (1->4) glycosidic bond. It is also related to or classified as glucosiduronic acid , monocarboxylic acid , glycosylxylose .


The molecule <smiles>Cc1ncc(n1CCOC(=O)c1ccccc1)[N+]([O-])=O</smiles> <smiles>Cc1ncc(n1CCOC(=O)c1ccccc1)[N+]([O-])=O</smiles> is A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole. It has the role of antimicrobial agent . It has the role of antiparasitic agent . It has the role of antibacterial drug . It has the role of prodrug . It has the role of antitrichomonal drug . Its functional parent is benzoic acid . Its functional parent is metronidazole . It is also related to or classified as benzoate ester .


The molecule <smiles>O=C(O[C@H]1[C@H](O)[C@@H](O)[C@@H](C)C[C@@H]1O)C2=C(O)C=CC=C2C</smiles> <smiles>O=C(O[C@H]1[C@H](O)[C@@H](O)[C@@H](C)C[C@@H]1O)C2=C(O)C=CC=C2C</smiles> is Ampelomin G. 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>O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c1ccc(O)c(O)c1</smiles> <smiles>O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2R)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits inhibitory activity for rat lens aldose reductase. It has the role of metabolite . It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor .  It is also related to or classified as 3'-hydroxyflavonoid  . It is also related to or classified as beta-D-glucosiduronic acid .


The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O</smiles> is an amino trisaccharide consisting of alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by (1->4) glycosidic bonds. It is an amino trisaccharide, a glucosamine oligosaccharide and a member of acetamides.


The molecule <smiles>C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCCC/C=C/C(=O)O)O)O</smiles> is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-21-hydroxyhenicos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an alpha,beta-unsaturated monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a (2E)-21-hydroxyhenicos-2-enoic acid. It is a conjugate acid of an oscr#37(1-).


The molecule <smiles>[H]\C(C)=N/O</smiles> <smiles>[H]\C(C)=N/O</smiles> is the (E)-stereoisomer of acetaldehyde oxime. It is also related to or classified as acetaldehyde oxime  .


The molecule <smiles>C1CC1C(=O)N2[C@H]([C@H](C23CN(C3)CC4=CN=CN=C4)C5=CC=CC=C5)CO</smiles> <smiles>C1CC1C(=O)N2[C@H]([C@H](C23CN(C3)CC4=CN=CN=C4)C5=CC=CC=C5)CO</smiles> is cyclopropyl-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(5-pyrimidinylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](CC(C)=O)C2=CO1</smiles> <smiles>CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](CC(C)=O)C2=CO1</smiles> is an  azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a chloro group at position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3, a hydroxy group at position 7, a methyl group at position 7 and a 2-oxopropyl group at position 8. Isolated from Chaetomium cupreum, it exhibits antifungal activity. It has the role of antifungal agent . It has the role of Chaetomium metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as organochlorine compound  .  It is also related to or classified as enone  . It is also related to or classified as azaphilone , methyl ketone .


The molecule <smiles>C1CC1CC(=O)N2[C@H]([C@@H](C23CN(C3)C(=O)C4=CC=NC=C4)C5=CC=CC=C5)CO</smiles> <smiles>C1CC1CC(=O)N2[C@H]([C@@H](C23CN(C3)C(=O)C4=CC=NC=C4)C5=CC=CC=C5)CO</smiles> is 2-cyclopropyl-1-[(2R,3S)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C</smiles> is an O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl). It has a role as an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor, a human metabolite and a mouse metabolite. It is an O-palmitoylcarnitine and a saturated fatty acyl-L-carnitine. It derives from a hexadecanoic acid.


The molecule <smiles>O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1</smiles> <smiles>O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2S)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits  inhibitory activity for rat lens aldose reductase. It has the role of metabolite . It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor . Its functional parent is eriodictyol . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as beta-D-glucosiduronic acid , trihydroxyflavanone , 3'-hydroxyflavanones .


The molecule <smiles>CC1=CC(=CC(=C1)OC)OC</smiles> is a member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties. It has a role as a fragrance and a plant metabolite. It is a member of toluenes and a member of methoxybenzenes.


The molecule <smiles>C1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O</smiles> is a member of the class of xanthones that is xanthen-9-one substituted at position 4 by a nitro group and at positions 1 and 8 by hydroxy groups. It has a role as a protein kinase inhibitor. It is a member of xanthones, a polyphenol and a C-nitro compound.


The molecule <smiles>CC[C@H](C)\C=C(C)\C=C\C1=CC2=CC3=C(C(C)=O)C(=O)O[C@@]3(C)C(=O)C2=CO1</smiles> <smiles>CC[C@H](C)\C=C(C)\C=C\C1=CC2=CC3=C(C(C)=O)C(=O)O[C@@]3(C)C(=O)C2=CO1</smiles> is an azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, an oxo group  at position 9, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity. It has the role of antifungal agent . It has the role of Chaetomium metabolite .  It is also related to or classified as gamma-lactone  .  It is also related to or classified as enone  . It is also related to or classified as organic heterotricyclic compound , azaphilone , methyl ketone .


The molecule <smiles>CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F</smiles> is a sulfonamide that is the N-ethyl derivative of perfluorooctane sulfonamidoacetic acid. It has a role as a xenobiotic and an environmental contaminant. It is an organofluorine compound, a monocarboxylic acid and a sulfonamide.


The molecule <smiles>[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@H](C)C(C)C</smiles> <smiles>[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@H](C)C(C)C</smiles> is an ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of trypanocidal drug . It has the role of antimycobacterial drug . Its functional parent is ergosterol .   It is also related to or classified as 3beta-sterol  . It is also related to or classified as organic peroxide , phytosterols , ergostanoid .


The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O</smiles> is a carbohydrate sulfate that is 2-acetamido-6-O-sulfo-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranuronoside. It is an amino disaccharide, a carbohydrate acid derivative, a member of acetamides and an oligosaccharide sulfate.


The molecule <smiles>C1=CC(=CC=C1/C=C\\C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O</smiles> is a stilbenoid that is the (+)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol. It is a member of 1-benzofurans, a polyphenol and a stilbenoid. It derives from a cis-resveratrol. It is an enantiomer of a (-)-cis-epsilon-viniferin.


The molecule <smiles>C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@@H]([C@@H](O3)CN(C1=O)C)OC)C)OC</smiles> <smiles>C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@@H]([C@@H](O3)CN(C1=O)C)OC)C)OC</smiles> is LSM-38616. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CCC(C)(O)\C=C(C)\C=C\C1=CC2=CC3C(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1</smiles> <smiles>CCC(C)(O)\C=C(C)\C=C\C1=CC2=CC3C(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1</smiles> is an  azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9 a 5-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum. It has the role of Chaetomium metabolite . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , azaphilone , methyl ketone .


The molecule <smiles>C(=O)(CC(=O)[C@H](O)[C@H](O)CO)O</smiles> <smiles>C(=O)(CC(=O)[C@H](O)[C@H](O)CO)O</smiles> is the 3-dehydro-2-deoxy derivative of D-gluconic acid. Its functional parent is D-gluconic acid . It is a conjugate acid of 3-dehydro-2-deoxy-D-gluconate . It is also related to or classified as ketoaldonic acid , hexonic acid .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched trisaccharide that is alpha-L-Fucp-(1->3)-alpha-D-Galp in which the hydroxy group at position 4 of the D-galactopyranose moiety has been glycosylated by an alpha-D-glucopyranosyl group. Its functional parent is alpha-D-Glcp-(1->4)-alpha-D-Galp . Its functional parent is alpha-L-Fucp-(1->3)-alpha-D-Galp . It is also related to or classified as trisaccharide .


The molecule <smiles>CC#CC#CC#C[C@@H]1O[C@H]1CO</smiles> <smiles>CC#CC#CC#C[C@@H]1O[C@H]1CO</smiles> is an epoxide substituted at position 2 by a hydroxymethyl group and at position 3 by a hepta-1,3,5-triyn-1-yl group (the 2S,3S)-diastereomer. It is isolated from  Trametes pubescens and exhibits antifungal properties. It has the role of metabolite . It has the role of antifungal agent . It is also related to or classified as primary alcohol  . It is also related to or classified as epoxide  .


The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC</smiles> is a 3-sn-phosphatidyl-L-serine in which the two phosphatidyl acyl groups are specified as octanoyl. It is a 3-sn-phosphatidyl-L-serine and an octanoate ester. It is a conjugate acid of a 1,2-dioctanoyl-sn-glycero-3-phosphoserine(1-).


The molecule <smiles>CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C</smiles> is an enol ether that is the cyclopropylmethyl ether of 3-hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2-one. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in horses and dogs. It has a role as a non-steroidal anti-inflammatory drug, a cyclooxygenase 2 inhibitor, an antineoplastic agent and a non-narcotic analgesic. It is a butenolide, a sulfone, an enol ether and a member of cyclopropanes.


The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC=NC=C4)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC=NC=C4)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> is an acyl-CoA(4-) that is the tetraanion of isonicotinyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .


The molecule <smiles>C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\C(=O)C(=O)CCC2=O)[C@H](O)C1=C</smiles> <smiles>C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\C(=O)C(=O)CCC2=O)[C@H](O)C1=C</smiles> is A cytochalasan alkaloid found in Chaetomium globosum. It has the role of Chaetomium metabolite .  It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C</smiles> is 1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@@]12C[C@@]3(C)CCC[C@H](C)[C@@]33O[C@H]3[C@]1([H])C(=C)C(=O)O2</smiles> <smiles>[H][C@@]12C[C@@]3(C)CCC[C@H](C)[C@@]33O[C@H]3[C@]1([H])C(=C)C(=O)O2</smiles> is A sesquiterpene lactone that is the 5alpha-epoxy derivative of alantolactone. Isolated from the root extracts of Inula helenium, it exhibits antimycobacterial activity. It has the role of metabolite . It has the role of antimycobacterial drug . Its functional parent is alantolactone . It is also related to or classified as epoxide  . It is also related to or classified as sesquiterpene lactone , naphthofuran .


The molecule <smiles>C(CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)C(=O)O)[C@@H](C(=O)O)N</smiles> is a phytochelatin that is a nonapeptide consisting of 4 units of gamma-Glu-Cys, with a glycyl unit at the C-terminus. It is a phytochelatin and an oligopeptide.


The molecule <smiles>CCCCC/C=C\\C/C=C\\CCCCCCC(C(=O)O)O</smiles> is a 2-hydroxy fatty acid derived from linoleic acid. It has a role as an Arabidopsis thaliana metabolite, an antineoplastic agent, a PPARalpha agonist and a PPARgamma agonist. It is a 2-hydroxy fatty acid, a long-chain fatty acid and a HODE. It derives from a linoleic acid.


The molecule <smiles>C(C#C)=O</smiles> <smiles>C(C#C)=O</smiles> is prop-2-ynal. It has the role of mouse metabolite . It is also related to or classified as ynal  . It is also related to or classified as terminal acetylenic compound  .


The molecule <smiles>C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\C(=O)C(=O)CCC2=O)C2O[C@]12C</smiles> <smiles>C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\C(=O)C(=O)CCC2=O)C2O[C@]12C</smiles> is A  cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine. It has the role of Chaetomium metabolite .  It is also related to or classified as epoxide  . It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .


The molecule <smiles>O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC=C(C7C6C5)CC=C(C)C)C)C)O2</smiles> <smiles>O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC=C(C7C6C5)CC=C(C)C)C)C)O2</smiles> is Tolypocladin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>OC(C(C(O)=O)C(=O)C(O)=O)C(O)=O</smiles> <smiles>OC(C(C(O)=O)C(=O)C(O)=O)C(O)=O</smiles> is 3-oxalomalic acid. It is a conjugate acid of 3-oxalomalate(3-) . It is also related to or classified as tricarboxylic acid .


The molecule <smiles>[H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])C[C@]3([H])O[C@@H](C=C(C)C)[C@H](O)[C@@H](C)[C@]23[H])C1</smiles> <smiles>[H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])C[C@]3([H])O[C@@H](C=C(C)C)[C@H](O)[C@@H](C)[C@]23[H])C1</smiles> is A sterol 3-beta-D-glucoside that is 16,23-epoxycholest-24-ene-3,22-diol substituted by a 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage (the 3beta,5beta,16beta,22R,23S stereoisomer). Isolated from bulbs of Ornithogalum saundersiae, it exhibits inhibitory activity on proliferation of human peripheral blood lymphocytes. It has the role of metabolite . It has the role of antineoplastic agent .   It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as 22-hydroxy steroid , cyclic ether , cholestanoid , trisaccharide derivative .


The molecule <smiles>CC(CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[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)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C</smiles> is a dolichyl diphosphooligosaccharide compound consisting of a branched tridecasaccharide attached to the dolichyl chain via a diphosphate linkage. It has a role as a mouse metabolite.


The molecule <smiles>CSCCCC[C@@H](C(=O)O)NO</smiles> is an N-hydroxy-L-polyhomomethionine in which there are four methylene groups between the alpha-carbon and sulfur atoms. It is a N-hydroxy-L-polyhomomethionine and a N-hydroxydihomomethionine. It is a conjugate acid of a N-hydroxy-L-dihomomethioninate.


The molecule <smiles>ClC(Cl)=O</smiles> <smiles>ClC(Cl)=O</smiles> is an acyl chloride obtained by substitution of both hydrogens of formaldehyde by chlorine. Its functional parent is formaldehyde . It is also related to or classified as acyl chloride .


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> is N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C</smiles> <smiles>CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C</smiles> is A 3beta-sterol that is ergosta-7,22-dien-3-ol substituted by additional hydroxy groups at positions 5, 6 and 9 (3beta,5alpha,6beta,22E stereoisomer). It has been isolated from the endophytic fungus, Chaetomium globosum. It has the role of Chaetomium metabolite . It is also related to or classified as 3beta-sterol  . It is also related to or classified as 6beta-hydroxy steroid , 5alpha-hydroxy steroid , 9-hydroxy steroid .


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C</smiles> is N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@@]1(Oc2c(C[C@H]1O)c(O)cc1O[C@@]3(Oc4cc(O)cc(O)c4[C@@]([H])([C@H]3O)c21)c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1</smiles> <smiles>[H][C@@]1(Oc2c(C[C@H]1O)c(O)cc1O[C@@]3(Oc4cc(O)cc(O)c4[C@@]([H])([C@H]3O)c21)c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1</smiles> is A proanthocyanidin that is a doubly linked dimer composed of (-)-epicatechin and (-)-epigallocatechin as its flavanol units. Isolated from the wood of Xanthoceras sorbifolium, it exhibits inhibitory activity towards HIV-1 protease. It has the role of metabolite . It has the role of HIV protease inhibitor . Its functional parent is (-)-epigallocatechin . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin .


The molecule <smiles>C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O</smiles> is a quercetin O-glycoside that consists of quercetin attached to a (2'',3''-digalloyl)-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Euphorbia lunulata, it exhibits insulin-like activity. It has a role as a plant metabolite. It is a beta-D-galactoside, a gallate ester and a quercetin O-glycoside.


The molecule <smiles>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O</smiles> is an omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of glutaric acid. It has a role as a mouse metabolite. It derives from a coenzyme A. It is a conjugate acid of a glutaryl-CoA(5-).


The molecule <smiles>O([C@H]1[C@H]([C@]2([C@@]([C@@]3([C@](CC2)([C@@]4(C(=C[C@@H]3O)C([C@H](O[C@@H]5OC[C@@H](OC(=O)C)[C@H](OC(=O)C)C5O)CC4)(C)C)[H])C)[H])(C1)C)C)C(CCC=C(C)C)C)[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@@H]6O)COC(=O)C</smiles> <smiles>O([C@H]1[C@H]([C@]2([C@@]([C@@]3([C@](CC2)([C@@]4(C(=C[C@@H]3O)C([C@H](O[C@@H]5OC[C@@H](OC(=O)C)[C@H](OC(=O)C)C5O)CC4)(C)C)[H])C)[H])(C1)C)C)C(CCC=C(C)C)C)[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@@H]6O)COC(=O)C</smiles> is Hebevinoside XIV.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .