The molecule <smiles>CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C</smiles> <smiles>CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C</smiles> is A C21-steroid that is 5beta-pregn-11-ene substituted by oxo groups at positions 3 and 20. It is also related to or classified as 3-oxo-5beta-steroid  .  It is also related to or classified as C21-steroid  . It is also related to or classified as 20-oxo steroid .


The molecule <smiles>Cc1cc(O)cc2C=C[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3c12</smiles> <smiles>Cc1cc(O)cc2C=C[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3c12</smiles> is 1-methylestra-1,3,5(10),6-tetraene-3,17beta-diol. It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>COc1ccc2[C@H]3CC[C@]4(C)C[C@@H](O)C[C@H]4[C@@H]3CCc2c1</smiles> <smiles>COc1ccc2[C@H]3CC[C@]4(C)C[C@@H](O)C[C@H]4[C@@H]3CCc2c1</smiles> is A 16beta-hydroxy steroid that is estra-1,3,5(10)-trien-16beta-ol substituted by a methoxy group at position 3. It is also related to or classified as 16beta-hydroxy steroid  .


The molecule <smiles>Oc1ccc2oc3cc(O)c(Cl)cc3c2c1</smiles> <smiles>Oc1ccc2oc3cc(O)c(Cl)cc3c2c1</smiles> is A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a chloro group at position 8 and hydroxy groups at position 2 and 7.  It is also related to or classified as organochlorine compound  . It is also related to or classified as polyphenol , dibenzofurans .


The molecule <smiles>CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@]4(C)[C@H]3CC[C@]12C</smiles> is A 2-oxo steroid that is a derivative of pregnane obtained by the loss of a methylene group. It is also related to or classified as 20-oxo steroid , 2-oxo steroid .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O</smiles> is A 16alpha-hydroxy steroid that is  estriol in which the hydroxy group at position 3 is replaced by an allyloxy group. Its functional parent is estriol . It is also related to or classified as 16alpha-hydroxy steroid  . It is also related to or classified as 17beta-hydroxy steroid  .


The molecule <smiles>C[C@@]12C[C@@H](O)C[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2</smiles> <smiles>C[C@@]12C[C@@H](O)C[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2</smiles> is A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 16. It is also related to or classified as 16beta-hydroxy steroid  . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>COC(=O)\C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C</smiles> <smiles>COC(=O)\C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C</smiles> is A steroid ester that is methyl (17E)-pregna-4,17-dien-21-oate substituted by oxo groups at positions 3 and 11. It is also related to or classified as methyl ester  . It is also related to or classified as 11-oxo steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as steroid ester .


The molecule <smiles>CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A steroid ester that is 5alpha-androstane substituted by an acetoxy group at position 17. It is also related to or classified as acetate ester  . It is also related to or classified as steroid ester , androstanoid .


The molecule <smiles>C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O</smiles> <smiles>C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O</smiles> is A 3-oxo Delta(4)-steroid that is  progesterone substituted by a beta-methyl group at position 16. Its functional parent is progesterone .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 20-oxo steroid .


The molecule <smiles>C1=C(C(=CC(=C1)NC(N(O)C)=O)Cl)Cl</smiles> <smiles>C1=C(C(=CC(=C1)NC(N(O)C)=O)Cl)Cl</smiles> is A member of the class of ureas that is  1-methylurea substituted by a hydroxy group at position 1 and a 3,4-dichlorophenyl group at position 3.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as phenylureas .


The molecule <smiles>[O-][N+](=O)c1ccc(cc1)[C@@H]1O[C@H]1c1ccccc1</smiles> <smiles>[O-][N+](=O)c1ccc(cc1)[C@@H]1O[C@H]1c1ccccc1</smiles> is an epoxide that is oxirane substituted by a phenyl group at position 3 and a 4-nitrophenyl group at position 2 (the trans-isomer). It is also related to or classified as epoxide  . It is also related to or classified as C-nitro compound .


The molecule <smiles>CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)[C@H](C[C@H]23)OC(C)=O)C1</smiles> <smiles>CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)[C@H](C[C@H]23)OC(C)=O)C1</smiles> is A steroid ester that is 5beta-pregnane substituted by an oxo group at position 20 and acetoxy groups at positions 3 and 12.  It is also related to or classified as acetate ester  . It is also related to or classified as 20-oxo steroid , steroid ester .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A member of the class of caprolactams resulting from the Beckmann rearrangement of the oxime derivative of cholest-4-en-3-one. It is also related to or classified as caprolactams , organic heterotetracyclic compound , semisynthetic derivative .


The molecule <smiles>C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(C)=O)[C@@]4(C)C[C@H](O)[C@]23F)=CC1=O</smiles> <smiles>C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(C)=O)[C@@]4(C)C[C@H](O)[C@]23F)=CC1=O</smiles> is A steroid ester that is pregn-4-en-21-yl acetate substituted by a fluoro group at position 9, hydroxy groups at positions 11 and 17 and oxo groups at positions 3 and 20 respectively. It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as acetate ester  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 17alpha-hydroxy steroid , 20-oxo steroid , steroid ester , fluorinated steroid .


The molecule <smiles>OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1</smiles> <smiles>OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1</smiles> is an organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid. It has the role of trypanocidal drug . It is also related to or classified as organosulfonate salt .


The molecule <smiles>C[C@@H]1C[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CCC2=CC1=O</smiles> <smiles>C[C@@H]1C[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CCC2=CC1=O</smiles> is A 3-oxo Delta(4)-steroid that is estr-4-ene substituted by an oxo group at position 3, methyl groups at positions 2 and 17 and a beta-hydroxy group at position 17. It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  .


The molecule <smiles>C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12</smiles> <smiles>C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12</smiles> is A steroid ester that is pregn-4-en-21-yl acetate substituted by oxo group at positions 3 and 20, a methyl group at position 6 and hydroxy groups at positions 11 and 17 respectively. It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 17alpha-hydroxy steroid , 20-oxo steroid , steroid ester .


The molecule <smiles>CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C</smiles> is an  androstanoid that is (5alpha)-androst-1-en-17beta-yl propanoate substituted by an oxo group at position 3. It is also related to or classified as 3-oxo-Delta(1) steroid  . It is also related to or classified as steroid ester , androstanoid .


The molecule <smiles>C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@]23F)=CC1=O</smiles> <smiles>C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@]23F)=CC1=O</smiles> is A fluorinated steroid that is pregn-4-ene substituted by a fluoro group at position 2, a methyl group at position 2 and oxo groups at positions 3, 11 and 20. Its functional parent is progesterone .  It is also related to or classified as 11-oxo steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 20-oxo steroid , fluorinated steroid .


The molecule <smiles>C=1(N(C(N=C(N1)N)(C)C)C=2C=CC(=CC2)Cl)N.Cl</smiles> <smiles>C=1(N(C(N=C(N1)N)(C)C)C=2C=CC(=CC2)Cl)N.Cl</smiles> is the hydrochloride salt of cycloguanil. It is also related to or classified as hydrochloride , organic molecular entity .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C</smiles> is 17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@H]2O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@H]2O</smiles> is A 3-oxo steroid that is estr-5(10)-ene substituted by an oxo group at position 3 and a beta-hydroxy group at position 17. It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo steroid  .


The molecule <smiles>C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> <smiles>C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> is 11alpha,17beta-Dihydroxyandrost-4-en-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(CO)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]</smiles> <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(CO)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]</smiles> is A 3-oxo Delta(4)-steroid that is testosterone which is substituted by a hydroxy group at positions 19. It has the role of mouse metabolite . Its functional parent is testosterone . It is also related to or classified as 17beta-hydroxy steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 19-hydroxy steroid .


The molecule <smiles>C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC\C2=C\CO</smiles> <smiles>C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC\C2=C\CO</smiles> is (Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@]34C)[C@@H]1CC[C@@H]2O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@]34C)[C@@H]1CC[C@@H]2O</smiles> is an  androstanoid that is androst-4-ene substituted by an alpha-fluoro group at position 2 and a beta-hydroxy group at position 17. Its functional parent is testosterone . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as androstanoid , fluorinated steroid .


The molecule <smiles>CC1(C)CC[C@@]23CO[C@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3</smiles> <smiles>CC1(C)CC[C@@]23CO[C@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3</smiles> is A triterpenoid that is (18alpha)-19,28-epoxyoleanane substituted by a hydroxy group at position 3. It is also related to or classified as secondary alcohol  . It is also related to or classified as triterpenoid  . It is also related to or classified as cyclic ether .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C</smiles> is 11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12</smiles> <smiles>C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12</smiles> is 17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC=C23)=CC1=O</smiles> <smiles>C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC=C23)=CC1=O</smiles> is 17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> <smiles>C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> is 17beta-Hydroxyandrosta-4,9(11)-dien-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)C1CCCCC1</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)C1CCCCC1</smiles> is 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate. It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as steroid ester .


The molecule <smiles>CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate. It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as steroid ester .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C</smiles> is 11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is 4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@@]12CC(=O)C[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2</smiles> <smiles>C[C@@]12CC(=O)C[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2</smiles> is 3beta-Hydroxy-5-androsten-16-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CCC2=CC1=O</smiles> <smiles>C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CCC2=CC1=O</smiles> is 17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2</smiles> <smiles>C[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2</smiles> is 7alpha-Hydroxytestololactone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@]12CC(=O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2</smiles> <smiles>C[C@]12CC(=O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2</smiles> is 1-Dehydro-9-fluoro-11-oxotestololactone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2</smiles> is D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is 17alpha-Methyl-5alpha-androstane-3alpha,17beta-diol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C</smiles> is 9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]12[C@@H]3CC(=O)C[C@@]1(CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12)SS3</smiles> <smiles>C[C@]12[C@@H]3CC(=O)C[C@@]1(CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12)SS3</smiles> is 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@]12C</smiles> is 9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12</smiles> <smiles>C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12</smiles> is 17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is 17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)C(=O)C[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)C(=O)C[C@]12C</smiles> is 9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CCC1=O</smiles> <smiles>CC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CCC1=O</smiles> is 11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@@]2([H])C[C@@H](O)CC[C@]12C</smiles> <smiles>[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@@]2([H])C[C@@H](O)CC[C@]12C</smiles> is an androstanoid that is epiandrosterone substituted by an oxo group at position 7. It has the role of androgen . Its functional parent is epiandrosterone . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 7-oxo steroid  . It is also related to or classified as androstanoid .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CC(=C(Br)Br)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CC(=C(Br)Br)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> is 6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C</smiles> <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C</smiles> is A 3beta-hydroxy steroid that is cholesterol in which a methylene (CH2) group has been removed from the B-ring. It is also related to or classified as 3beta-sterol  . It is also related to or classified as 3beta-hydroxy steroid  .


The molecule <smiles>CCCCC\C=C/CC(OO)\C=C\C=C/CCCCC(O)=O</smiles> <smiles>CCCCC\C=C/CC(OO)\C=C\C=C/CCCCC(O)=O</smiles> is A hydroperoxy fatty acid that is (6Z,8E,12Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 10. Its functional parent is gamma-linolenic acid . It is a conjugate acid of 10-HPO(6,8,12)TrE(1-) . It is also related to or classified as hydroperoxyoctadecatrienoic acid .


The molecule <smiles>CC1=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O</smiles> <smiles>CC1=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O</smiles> is 17beta-Hydroxy-4-methylandrost-4-en-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCC</smiles> <smiles>CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as octanoyl. It is a conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 5-phosphate  . It is also related to or classified as octanoate ester  .


The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCC</smiles> <smiles>CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3-phosphate in which both phosphatidyl acyl groups are specified as octanoyl. It is a conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3-phosphate  . It is also related to or classified as octanoate ester  .


The molecule <smiles>COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is 17beta-Carbomethoxyandrost-5-en-3beta-ol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CCCC\C=C/CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCC\C=C/CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-3-oxohexadecenoic acid. It is a conjugate acid of (11Z)-3-oxohexadecenoyl-CoA(4-) .  It is also related to or classified as 3-oxo-fatty acyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA .


The molecule <smiles>C[C@@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O</smiles> <smiles>C[C@@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O</smiles> is A polyketide obtained by hydrolysis of the pyranone ring of dihydromonacolin L. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is dihydromonacolin L . It is a conjugate acid of dihydromonacolin L carboxylate .  It is also related to or classified as polyketide  . It is also related to or classified as octahydronaphthalenes , dihydroxy monocarboxylic acid , carbobicyclic compound .


The molecule <smiles>C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C=CC2=C1</smiles> <smiles>C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C=CC2=C1</smiles> is A polyketide obtained by hydrolysis of the pyranone ring of monacolin J. It has the role of fungal metabolite . Its functional parent is monacolin J . It is a conjugate acid of monacolin J carboxylate .  It is also related to or classified as polyketide  . It is also related to or classified as hexahydronaphthalenes , hydroxy monocarboxylic acid .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is a conjugate acid of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3',5'-bisphosphate)(5-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate  .


The molecule <smiles>C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)[C@H](O)C=C2C1</smiles> <smiles>C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)[C@H](O)C=C2C1</smiles> is A polyketide obtainbed by allylic hydroxylation of dihydromonacolin L acid at the 3alpha-position. It has the role of Aspergillus metabolite . Its functional parent is dihydromonacolin L acid . It is a conjugate acid of 3alpha-hydroxy-3,5-dihydromonacolin L carboxylate . It is also related to or classified as polyketide  . It is also related to or classified as hydroxy monocarboxylic acid , carbobicyclic compound .


The molecule <smiles>C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C=CC2=C1</smiles> <smiles>C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C=CC2=C1</smiles> is A polyketide obtained by hydrolysis of the pyranone ring of monacolin L. It has the role of Aspergillus metabolite . Its functional parent is monacolin L . It is a conjugate acid of monacolin L carboxylate .  It is also related to or classified as polyketide  . It is also related to or classified as hexahydronaphthalenes , dihydroxy monocarboxylic acid .


The molecule <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]</smiles> <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]</smiles> is an androstanoid that is androst-4-en-19-al substituted by oxo groups at positions 3 and 17. It has the role of human metabolite . Its functional parent is androst-4-ene-3,17-dione .  It is also related to or classified as 17-oxo steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as steroid aldehyde , 19-oxo steroid , androstanoid .


The molecule <smiles>CC(=O)N[C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)C1=O</smiles> <smiles>CC(=O)N[C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)C1=O</smiles> is A UDP-amino sugar having 2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranose as the amino sugar component. Its functional parent is UDP-D-glucosamine . It is a conjugate acid of UDP-2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranose(2-) . It is also related to or classified as UDP-amino sugar .


The molecule <smiles>C\C(\C=C\C=C(/C)\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O</smiles> <smiles>C\C(\C=C\C=C(/C)\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O</smiles> is an apo carotenoid triterpenoid that is 4,4'-diapolycopene in which two of the terminal methyl groups have been oxidised to carboxy groups. It has the role of bacterial metabolite . It is a conjugate acid of 4,4'-diapolycopenedioate . It is also related to or classified as alpha,omega-dicarboxylic acid , apo carotenoid triterpenoid , olefinic compound .


The molecule <smiles>CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12</smiles> <smiles>CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12</smiles> is A polyketide obtained by hydrolysis of the pyranone ring of lovastatin. It has the role of EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor . It has the role of drug metabolite . It has the role of teratogenic agent . It has the role of Aspergillus metabolite . Its functional parent is (S)-2-methylbutyric acid . Its functional parent is lovastatin . It is a conjugate acid of mevinolinate . It is also related to or classified as polyketide  . It is also related to or classified as fatty acid ester  . It is also related to or classified as dihydroxy monocarboxylic acid , carbobicyclic compound .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H]([NH3+])C([O-])=O)n1)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H]([NH3+])C([O-])=O)n1)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from hercynylselenocysteine by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A phosphatidylinositol 3-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is a conjugate acid of 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-) . It is also related to or classified as phosphatidylinositol 3-phosphate .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 3-(3-sn-phosphatidyl)-sn-glycerol 1-phosphate in which both phosphatidyl acyl groups are specified as oleoyl. Its functional parent is oleic acid . It is a conjugate acid of 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)(3-) . It is also related to or classified as 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate  .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O</smiles> is A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 17beta-estradiol 17-glucosiduronic acid.   It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as beta-D-glucosiduronate  . It is also related to or classified as steroid glucosiduronic acid anion , estrane conjugate .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from hercynylcysteine sulfoxide by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A 4-O-beta-D-glucosyl-4-coumaric acid in which the double bond has trans-configuration. It has the role of plant metabolite . It is a conjugate acid of 4-O-beta-D-glucosyl-trans-4-coumarate . It is also related to or classified as 4-O-beta-D-glucosyl-4-coumaric acid  .


The molecule <smiles>C12=CC=CC=C1C(=CN2)[C@@H](C)[C@]3(C([NH+]=C(O3)NC)=O)[H]</smiles> <smiles>C12=CC=CC=C1C(=CN2)[C@@H](C)[C@]3(C([NH+]=C(O3)NC)=O)[H]</smiles> is an organic cation obtained by protonation at position 3 in the oxazole ring of indolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of indolmycin . It is also related to or classified as organic cation .


The molecule <smiles>OCCCCCCCCCCCCCCCCCC([O-])=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is an omega-hydroxy-long-chain fatty acid anion that is the conjugate base of 18-hydroxyoctadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is octadecanoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  .


The molecule <smiles>COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1</smiles> <smiles>COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1</smiles> is A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as pentamethoxyflavone .


The molecule <smiles>C[C@H]1[C@H](O)[C@H]2[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@H](O)[C@@]12C</smiles> <smiles>C[C@H]1[C@H](O)[C@H]2[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@H](O)[C@@]12C</smiles> is 11beta,17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CC(C)C(=O)\C=C/C=C(/O)C(O)=O</smiles> <smiles>CC(C)C(=O)\C=C/C=C(/O)C(O)=O</smiles> is an alpha,beta-unsaturated monocarboxylic acid that is (2E,4Z)-7-methyl-2,4-octadienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively. It is a conjugate acid of (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoate . It is also related to or classified as 6-oxo monocarboxylic acid , 2-hydroxy monocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@]12C[C@@H](O)C[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2</smiles> <smiles>C[C@@]12C[C@@H](O)C[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2</smiles> is 5-Androstene-3beta,16beta-diol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CC(O)CCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC(O)CCCCCCCCCCCCCC(O)=O</smiles> is A hydroxy fatty acid that is palmitic (hexadecanoic) acid carrying a single hydroxy substituent at position 15. It is a conjugate acid of 15-hydroxypalmitate . It is also related to or classified as hydroxypalmitic acid , (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2</smiles> <smiles>C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2</smiles> is 11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)\C(C[C@]34C)=C/O)[C@@H]1CCC(=O)O2</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)\C(C[C@]34C)=C/O)[C@@H]1CCC(=O)O2</smiles> is 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](N)c1ccccc1</smiles> <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](N)c1ccccc1</smiles> is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R)-3-amino-3-phenylpropanoic acid. Its functional parent is (R)-3-amino-3-phenylpropanoic acid . It is a conjugate acid of (3R)-3-ammonio-3-phenylpropanoyl-CoA(3-) . It is also related to or classified as acyl-CoA  .


The molecule <smiles>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)C(O)=O</smiles> <smiles>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)C(O)=O</smiles> is an apo carotenoid triterpenoid that is 4,4'-diapolycopene in which one of the terminal methyl groups has been oxidised to the corresponding carboxylic acid. It has the role of bacterial metabolite . It is a conjugate acid of 4,4'-diaponeurosporenoate . It is also related to or classified as apo carotenoid triterpenoid , olefinic compound , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC</smiles> <smiles>CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC</smiles> is A phthalate ester obtained by the formal condensation of both the carboxy groups of phthalic acid with two molecules of  2-butoxyethanol. It has the role of xenobiotic . Its functional parent is 2-butoxyethanol .  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .


The molecule <smiles>[H][C@]1(CC[C@@]1([H])C1=CC=CC=C1)C1=CC=CC=C1</smiles> <smiles>[H][C@]1(CC[C@@]1([H])C1=CC=CC=C1)C1=CC=CC=C1</smiles> is A 1,2-diphenylcyclobutane that has trans-configuration. It is also related to or classified as 1,2-diphenylcyclobutane  .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc3C(=O)CC(Oc3c2)c2ccccc2)[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)[C@@H](CO)O[C@H]2Oc2ccc3C(=O)CC(Oc3c2)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is  7-hydroxyflavanone attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Its functional parent is 7-hydroxyflavanone . It is also related to or classified as disaccharide derivative , flavanone glycoside .


The molecule <smiles>C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@]34C)[C@@H]1CCC2=O</smiles> <smiles>C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@]34C)[C@@H]1CCC2=O</smiles> is 5alpha-Androst-1-ene-3,11,17-trione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>COC(=O)CCCCCCCCCCC1CCC2OC12</smiles> <smiles>COC(=O)CCCCCCCCCCC1CCC2OC12</smiles> is 6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .


The molecule <smiles>OCCCCCCCCCCCCCCC([O-])=O</smiles> <smiles>OCCCCCCCCCCCCCCC([O-])=O</smiles> is an omega-hydroxy-lon-chain fatty acid anion that is the conjugate base of 15-hydroxypentadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  .


The molecule <smiles>CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O</smiles> <smiles>CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O</smiles> is A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds. It has the role of herbicide . It has the role of agrochemical . It has the role of environmental contaminant . It is also related to or classified as C-nitro compound , substituted aniline , secondary amino compound .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C</smiles> is 17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C1[C@H](C[C@]2([C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](CC3)(CCC4)C)[H])[H])[H])C)[H])O</smiles> <smiles>C1[C@H](C[C@]2([C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](CC3)(CCC4)C)[H])[H])[H])C)[H])O</smiles> is 5alpha-Androstan-3alpha-ol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C\C=C(C)\C\C(C)=C\C=C\CC[C@H](C)CNC(=O)\C=C\C=C\[C@@H]2C)O[C@@H]1C</smiles> <smiles>CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C\C=C(C)\C\C(C)=C\C=C\CC[C@H](C)CNC(=O)\C=C\C=C\[C@@H]2C)O[C@@H]1C</smiles> is Vicenistatin. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@]1(C\C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1</smiles> <smiles>[H][C@]1(C\C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1</smiles> is an epothilone that is 1-oxacyclohexadec-13-ene-2,6-dione which is substituted by hydroxy groups at positions 4 and 9, methyl groups at positions 5, 5, 7, and 9, and by a (1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group at position 16 (the 4S,7R,8S,9S,13Z,16S stereoisomer). It is also related to or classified as epothilone .


The molecule <smiles>C[C@@H](O)[C@@H](NC(=O)[C@H](N)CCCN(O)C=O)C(=O)N(O)CCC[C@H](NC(=O)[C@H](N)CCCN(O)C=O)C(O)=O</smiles> <smiles>C[C@@H](O)[C@@H](NC(=O)[C@H](N)CCCN(O)C=O)C(=O)N(O)CCC[C@H](NC(=O)[C@H](N)CCCN(O)C=O)C(O)=O</smiles> is A tetrapeptide hydroxamate siderophore that is isolated from Streptomyces coelicolor. It has the role of siderophore . It has the role of bacterial metabolite . It is a conjugate acid of coelichelin(3-) .   It is also related to or classified as tetrapeptide  . It is also related to or classified as formamides , hydroxamic acid .


The molecule <smiles>C[C@@H](O)[C@@H](NC(=O)[C@H](N)CCCN([O-])C=O)C(=O)N([O-])CCC[C@H](NC(=O)[C@H](N)CCCN([O-])C=O)C(O)=O</smiles> <smiles>C[C@@H](O)[C@@H](NC(=O)[C@H](N)CCCN([O-])C=O)C(=O)N([O-])CCC[C@H](NC(=O)[C@H](N)CCCN([O-])C=O)C(O)=O</smiles> is A hydroxamic acid anion obtained by deprotonation of the three hydroxamic acid groups of coelichelin. It has the role of siderophore . It has the role of bacterial metabolite . It is also related to or classified as hydroxamic acid anion .


The molecule <smiles>COc1ccnc(CS(=O)c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)C4(C)C)c1C</smiles> <smiles>COc1ccnc(CS(=O)c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)C4(C)C)c1C</smiles> is Ro 18-5364. It is also related to or classified as sulfoxide  . It is also related to or classified as benzimidazoles .


The molecule <smiles>CS[C@@H]1SC[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@@]3(C[C@@H]3C)N(C)C(=O)[C@H]1N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@@]1(C[C@@H]1C)N(C)C2=O)NC(=O)c1nc2ccccc2cc1O)NC(=O)c1nc2ccccc2cc1O</smiles> <smiles>CS[C@@H]1SC[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@@]3(C[C@@H]3C)N(C)C(=O)[C@H]1N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@@]1(C[C@@H]1C)N(C)C2=O)NC(=O)c1nc2ccccc2cc1O)NC(=O)c1nc2ccccc2cc1O</smiles> is A cyclodepsipeptide antibiotic that is isolated from Streptomyces sp. SNA15896 and also exhibits antitumour activity. It has the role of bacterial metabolite .   It is also related to or classified as cyclodepsipeptide  .  It is also related to or classified as dithioacetal  . It is also related to or classified as heterodetic cyclic peptide , peptide antibiotic , hydroxyquinoline .


The molecule <smiles>CCCC1OC(=O)C(C)CC(C)CCCCC(=O)CCCC(CC)\C=C\C=C(COC)\CCC(O)C(O)CC(O)CNC1=O</smiles> <smiles>CCCC1OC(=O)C(C)CC(C)CCCCC(=O)CCCC(CC)\C=C\C=C(COC)\CCC(O)C(O)CC(O)CNC1=O</smiles> is Antibiotic TA. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>C1=C(C=CC(=C1)/C=C(/C=C/2\CO[C@](C2)(C3=C(C(C(=C(O3)OC)C)=O)C)[H])\C)[N+]([O-])=O</smiles> <smiles>C1=C(C=CC(=C1)/C=C(/C=C/2\CO[C@](C2)(C3=C(C(C(=C(O3)OC)C)=O)C)[H])\C)[N+]([O-])=O</smiles> is A C-nitro compound that is (3Z)-3-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran which is substituted by a 6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl group at position 5. It is isolated from the soil bacterium, Streptomyces thioluteus and exhibits antitumor, antifungal, and insecticidal activities. It has the role of antibacterial agent . It has the role of antiparasitic agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor . It has the role of bacterial metabolite . Its functional parent is deoxyaureothin .  It is also related to or classified as ketene acetal  . It is also related to or classified as 4-pyranones , oxolanes , C-nitro compound , olefinic compound .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccc(O)cc1)C(C)C</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccc(O)cc1)C(C)C</smiles> is Tubulysin A. It is also related to or classified as carboxylic acid  . It is also related to or classified as diester  .


The molecule <smiles>C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCCC(C)(O)C)\C)\C)\C)/C)/C)C(CCCC1C)(C)C</smiles> <smiles>C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCCC(C)(O)C)\C)\C)\C)/C)/C)C(CCCC1C)(C)C</smiles> is A carotenol that is 1',2'-dihydro-beta,psi-carotene which carries a hydroxy group at position 1'. It has the role of bacterial metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as carotenol .


The molecule <smiles>[Na+].CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS([O-])(=O)=O)c1)[C@H](O)CC(N)=O</smiles> <smiles>[Na+].CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS([O-])(=O)=O)c1)[C@H](O)CC(N)=O</smiles> is micafungin sodium. It is also related to or classified as organic sodium salt , antibiotic antifungal drug .


The molecule <smiles>CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C</smiles> <smiles>CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C</smiles> is A carotene that is beta,psi-carotene which has been been dehydrogenated to introduce an (E)-double bond at the 3'-4' position. It is also related to or classified as carotene  . It is also related to or classified as polyene .


The molecule <smiles>C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(C)(O)C)\C)\C)\C)/C)/C)C(CCCC1C)(C)C</smiles> <smiles>C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(C)(O)C)\C)\C)\C)/C)/C)C(CCCC1C)(C)C</smiles> is A carotenol that is (3'E)-3',4'-didehydro-1',2'-dihydro-beta,psi-carotene which carries a hydroxy group at position 1'. It has the role of bacterial metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as carotenol .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C</smiles> is Tubulysin D. It is also related to or classified as carboxylic acid  . It is also related to or classified as diester  .


The molecule <smiles>CC(C)[C@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1\C=C\CCNC(=O)\C=C\[C@@H](NC1=O)C(C)C)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1\C=C\CCNC(=O)\C=C\[C@@H](NC1=O)C(C)C)C(O)=O</smiles> is A syrbactin that has a (3E,9E)-2,7-dioxo-1,6-diazacyclododeca-3,9-diene skeleton that is substituted by an isopropyl group at position 5 and by a [(2S)-2-({[(1S)-1-carboxy-2-methylpropyl]carbamoyl}amino)-3-methylbutanoyl]nitrilo group at the 8-pro-S position. It is produced by the pathogenic bacterium Pseudomonas syringae pv. syringae. It has the role of bacterial metabolite . It is also related to or classified as homodetic cyclic peptide , monocarboxylic acid , ureas , syrbactin .


The molecule <smiles>CC(C)[C@H]1CC[C@H](C)c2c(O)cc(C)cc12</smiles> <smiles>CC(C)[C@H]1CC[C@H](C)c2c(O)cc(C)cc12</smiles> is A sesquiterpenoid consisting of 5,6,7,8-tetrahydronaphthalen-1-ol having two methyl substituents at the 3- and 8-positions, an isopropyl substituent at the 5-position and (+)-(5R,8S)-configuration. It is also related to or classified as sesquiterpenoid , carbobicyclic compound .


The molecule <smiles>CO[C@H]1CC\C=C(C)\C(=O)Nc2cc(O)cc(C[C@@H](C)C[C@H](OC)[C@H](O)C(C)\C=C(C)\[C@@H]1O)c2</smiles> <smiles>CO[C@H]1CC\C=C(C)\C(=O)Nc2cc(O)cc(C[C@@H](C)C[C@H](OC)[C@H](O)C(C)\C=C(C)\[C@@H]1O)c2</smiles> is Progeldanamycin. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> is A cholestanoid that is 5alpha-cholesta-8-en-3beta-ol bearing two additional methyl substituents at position 4. It has the role of mouse metabolite .  It is also related to or classified as 3beta-sterol  . It is also related to or classified as tetracyclic triterpenoid , cholestanoid .


The molecule <smiles>COC(=O)C1=CO[C@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12</smiles> <smiles>COC(=O)C1=CO[C@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12</smiles> is 19-epi-Ajmalicine. It is also related to or classified as methyl ester  . It is also related to or classified as yohimban alkaloid .


The molecule <smiles>CC(\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c1c(C)ccc(C)c1C</smiles> <smiles>CC(\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c1c(C)ccc(C)c1C</smiles> is Isorenieratene. It is also related to or classified as carotenoid phi-end group  . It is also related to or classified as diterpenoid  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(O)=O</smiles> is A nine amino acid peptide with sequence YPYDVPDYA derived from an epitope of the influenza hemagglutinin protein. It is extensively used as an epitope tag on recombinant proteins to facilitate their isolation, purification, and detection. It is also related to or classified as peptide  .


The molecule <smiles>C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C</smiles> <smiles>C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C</smiles> is A member of the class of carotenone that is echinenone carrying an additional hydroxy substituent at position 3'. Found in cyanobacteria. It has the role of cofactor . It has the role of biological pigment . It has the role of bacterial metabolite . Its functional parent is echinenone .  It is also related to or classified as secondary alcohol  . It is also related to or classified as enone  . It is also related to or classified as carotenone .


The molecule <smiles>COC(=O)C1=CO[C@H](C)C2=CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12</smiles> <smiles>COC(=O)C1=CO[C@H](C)C2=CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12</smiles> is 19-epi-Cathenamine. It is also related to or classified as methyl ester  . It is also related to or classified as yohimban alkaloid .


The molecule <smiles>CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]1O[C@@]2(O[C@@]3(CC[C@](C)(O3)C3CC[C@](O)(CC)[C@H](C)O3)[C@H](O)C=C2)[C@H](C)C[C@@H]1C)C(O)=O</smiles> <smiles>CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]1O[C@@]2(O[C@@]3(CC[C@](C)(O3)C3CC[C@](O)(CC)[C@H](C)O3)[C@H](O)C=C2)[C@H](C)C[C@@H]1C)C(O)=O</smiles> is Salinomycin. It has the role of animal growth promotant . It has the role of potassium ionophore . It is also related to or classified as polyketide  . It is also related to or classified as spiroketal .


The molecule <smiles>C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)C(=CC=C(C1C)C)C</smiles> <smiles>C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)C(=CC=C(C1C)C)C</smiles> is A carotenoid that is 1,2,4-trimethylmenzene in which the hydrogen at position 3 has been replaced by an all-trans-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl group. Found in photosynthetic green bacteria. It has the role of bacterial metabolite . It is also related to or classified as carotenoid phi-end group  .  It is also related to or classified as carotenoid  . It is also related to or classified as benzenes .


The molecule <smiles>C\C=C(\C)C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@]2(C)[C@H]1C)C(C)=C</smiles> <smiles>C\C=C(\C)C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@]2(C)[C@H]1C)C(C)=C</smiles> is an enoate ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of (1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol. It has the role of vasodilator agent . It has the role of anti-allergic agent . It has the role of plant metabolite . It has the role of EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator . Its functional parent is angelic 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 sesquiterpenoid , alicyclic ketone .


The molecule <smiles>CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC</smiles> <smiles>CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC</smiles> is perindopril erbumine. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of antihypertensive agent . It is also related to or classified as addition compound .


The molecule <smiles>C(\CC)=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC</smiles> <smiles>C(\CC)=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoic acid with the hydroxy group of ethanol. It has the role of antidepressant . It has the role of antipsychotic agent . It has the role of anticholesteremic drug . It has the role of prodrug . It has the role of marine metabolite . Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid . It is also related to or classified as long-chain fatty acid ethyl ester  . It is also related to or classified as polyunsaturated fatty ester .


The molecule <smiles>CCOC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCOC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid with the hydroxy group of ethanol. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>COc1cc(OC)c(cc1OC)-c1coc2cc(O)ccc2c1=O</smiles> <smiles>COc1cc(OC)c(cc1OC)-c1coc2cc(O)ccc2c1=O</smiles> is A hydroxyisoflavone that is isoflavone substituted by a hydroxy group at position 7 and methoxy groups at the 2', 4' and 5' positions. It has the role of plant metabolite . Its functional parent is isoflavone . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as hydroxyisoflavone .


The molecule <smiles>COc1c(oc2cc3oc(=O)ccc3cc12)C(C)C</smiles> <smiles>COc1c(oc2cc3oc(=O)ccc3cc12)C(C)C</smiles> is A member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively. It has the role of plant metabolite .  It is also related to or classified as lactone  . It is also related to or classified as furanocoumarin , aromatic ether .


The molecule <smiles>C([C@@H](N)CC=1C=CC=CC1)(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(=O)N)C)=O)CC(C)C)=O)CCCCN)CCCNC(=N)N)=O)C)CO)CCCCN)CCCNC(=N)N)C)[C@@H](C)O)CC=2C=CC=CC2</smiles> <smiles>C([C@@H](N)CC=1C=CC=CC1)(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(=O)N)C)=O)CC(C)C)=O)CCCCN)CCCNC(=N)N)=O)C)CO)CCCCN)CCCNC(=N)N)C)[C@@H](C)O)CC=2C=CC=CC2</smiles> is A seventenn-membered polypeptide consisting of Phe, Gly, Gly, Phe, Thr, Gly, Ala, Arg, Lys, Ser, Ala, Arg, Lys, Leu, Ala, Asn and Gln residue joined in sequence. It has the role of human metabolite . It has the role of rat metabolite . It is also related to or classified as polypeptide  . It is also related to or classified as organic molecular entity .


The molecule <smiles>CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CSC)CN2CCC</smiles> <smiles>CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CSC)CN2CCC</smiles> is A methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. It has the role of geroprotector . It has the role of antiparkinson drug . It has the role of dopamine agonist . It is also related to or classified as methanesulfonate salt .


The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC([C@H](CC)C)=O)=O)=O)O)(C)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@H](C(NCCC(NCCSC([C@H](CC)C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> is A (2S)-2-methylacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S)-2-methylbutanoic acid. It has the role of mouse metabolite . Its functional parent is (S)-2-methylbutyric acid . It is a conjugate acid of (S)-2-methylbutanoyl-CoA(4-) . It is also related to or classified as (2S)-2-methylacyl-CoA  . It is also related to or classified as 2-methylbutanoyl-CoA  .


The molecule <smiles>O=C([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C)CC(=O)N)CO)CC(=O)N)N1[C@@H](CCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H]3C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)O)CSSC3)=O)CO)[C@@H](C)O)CC4=CC=CC=C4)[C@@H](C)O)CCCCN)=O)CC=5C6=C(NC5)C=CC=C6)CC7=CC=CC=C7)CC8=CC=CC=C8)=O)CC(N)=O)=O)CCCCN)=O)C)C)CCSC)C</smiles> <smiles>O=C([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C)CC(=O)N)CO)CC(=O)N)N1[C@@H](CCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H]3C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)O)CSSC3)=O)CO)[C@@H](C)O)CC4=CC=CC=C4)[C@@H](C)O)CCCCN)=O)CC=5C6=C(NC5)C=CC=C6)CC7=CC=CC=C7)CC8=CC=CC=C8)=O)CC(N)=O)=O)CCCCN)=O)C)C)CCSC)C</smiles> is A heterodetic cyclic peptide consisting of somatostatin in which the amino terminus has been acylated by the fourteen membered peptide Ser-Ala-Asn-Ser-Asn-Pro-Ala-Met-Ala-Pro-Arg-Glu-Arg-Lys. It has the role of mouse metabolite . It has the role of fungal metabolite . It has the role of rat metabolite . Its functional parent is somatostatin . It is also related to or classified as heterodetic cyclic peptide , peptide hormone .


The molecule <smiles>C=1(C(C[C@@H](C(C1C)=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@@H](CC2C)O)(C)C)\C)\C)/C)/C</smiles> <smiles>C=1(C(C[C@@H](C(C1C)=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@@H](CC2C)O)(C)C)\C)\C)/C)/C</smiles> is A carotenone that consists of beta,beta-caroten-4-one bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'R diastereomer). It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of marine metabolite . It has the role of plant metabolite . It has the role of bacterial metabolite . It has the role of algal metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as carotenone , cyclic ketone .


The molecule <smiles>OC(=O)C(=O)\C=C\c1cc2ccccc2cc1O</smiles> <smiles>OC(=O)C(=O)\C=C\c1cc2ccccc2cc1O</smiles> is 4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1</smiles> <smiles>COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1</smiles> is A methoxyisoflavan that is  (R)-isoflavan substituted by a methoxy group at position 4' and hydroxy groups at positions 7 and 2' respectively. It has the role of plant metabolite . It is also related to or classified as hydroxyisoflavans , methoxyisoflavan .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O</smiles> is A 29 amino acid polypeptide that is used to treat growth problems (usually in children) due to growth hormone deficiency. It is the biologically active fragment of human growth hormone-releasing factor (GHRH). It has the role of diagnostic agent . It is also related to or classified as polypeptide  . It is also related to or classified as peptide hormone .


The molecule <smiles>COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc(O)cc1)c2=O</smiles> <smiles>COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc(O)cc1)c2=O</smiles> is A glycosyloxyisoflavone that is glycitin substituted by a  malonyl group at position 6''. It has the role of plant metabolite . Its functional parent is glycitin . It is also related to or classified as malonate ester , hydroxyisoflavone , methoxyisoflavone , monosaccharide derivative , glycosyloxyisoflavone .


The molecule <smiles>[H][C@@]12O[C@@](OCC)(\C=C(C)/C[C@H](OC(=O)C(C)=C)[C@@]3([H])C(=C)C(=O)O[C@]13[H])C=C2C</smiles> <smiles>[H][C@@]12O[C@@](OCC)(\C=C(C)/C[C@H](OC(=O)C(C)=C)[C@@]3([H])C(=C)C(=O)O[C@]13[H])C=C2C</smiles> is A  germacranolide isolated from Elephantopus mollis and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .   It is also related to or classified as gamma-lactone  . It is also related to or classified as enoate ester  . It is also related to or classified as organic heterotricyclic compound , cyclic ether , germacranolide .


The molecule <smiles>OC1Oc2cc(O)c(O)cc2C(=O)C1c1ccc(O)cc1</smiles> <smiles>OC1Oc2cc(O)c(O)cc2C(=O)C1c1ccc(O)cc1</smiles> is A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 2, 6, 7 and 4' respectively. Its functional parent is isoflavanone . It is also related to or classified as hydroxyisoflavanone .


The molecule <smiles>O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O</smiles> <smiles>O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O</smiles> is A glycosyloxyisoflavone that is  daidzein substituted by a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is daidzein 7-O-beta-D-glucoside . It is also related to or classified as malonate ester , hydroxyisoflavone , monosaccharide derivative , glycosyloxyisoflavone .


The molecule <smiles>O=c1ccc2cc3ccccc3cc2o1</smiles> <smiles>O=c1ccc2cc3ccccc3cc2o1</smiles> is 6,7-Benzocoumarin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C</smiles> <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C</smiles> is A 3beta-hydroxy-Delta(5)-steroid that is campesterol carrying two hydroxy groups at positions 22R and 23R. It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as (22S)-22-hydroxy C28-steroid  .  It is also related to or classified as 3beta-sterol  . It is also related to or classified as brassinosteroid , 23-hydroxy steroid .


The molecule <smiles>C(CCCC(O)=O)CCC[C@@H](/C=C/C=C\C/C=C\CC)O</smiles> <smiles>C(CCCC(O)=O)CCC[C@@H](/C=C/C=C\C/C=C\CC)O</smiles> is A 9-HOTrE consisting of (10E,12Z,15Z)-octadecatrienoic acid in which the 9-hydroxy group has S-configuration. It has the role of plant metabolite . It is also related to or classified as 9-HOTrE  .


The molecule <smiles>COC(C)(C)CCC(=O)C(\C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(C)c(C)c1C</smiles> <smiles>COC(C)(C)CCC(=O)C(\C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(C)c(C)c1C</smiles> is Okenone. It is also related to or classified as carotenoid chi-end group  . It is also related to or classified as triterpenoid  .


The molecule <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C</smiles> <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C</smiles> is A 3-oxo Delta(4)-steroid that is (22S)-22-hydroxycampest-4-en-3-one bearing an additional hydroxy substituent at position 23R. It is also related to or classified as (22S)-22-hydroxy C28-steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as brassinosteroid .


The molecule <smiles>Oc1ccc2c(c1)occ(-c1cc3OCOc3cc1O)c2=O</smiles> <smiles>Oc1ccc2c(c1)occ(-c1cc3OCOc3cc1O)c2=O</smiles> is A pseudobaptigenin that is pseudobaptigenin substituted by a hydroxy groups at position 2'. It has the role of plant metabolite . Its functional parent is pseudobaptigenin . It is also related to or classified as benzodioxoles , hydroxyisoflavone .


The molecule <smiles>C1(=CC=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(CC(O)=O)=O</smiles> <smiles>C1(=CC=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(CC(O)=O)=O</smiles> is A glycosyloxyisoflavone that is  formononetin attached to a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is formononetin . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as malonate ester , monosaccharide derivative , glycosyloxyisoflavone .


The molecule <smiles>O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H]1O</smiles> <smiles>O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H]1O</smiles> is an anthocyanidin glycoside that is the cinnamate ester obtained by the formal condensation of 6''-hydroxy group of pelargonidin 3-O-beta-D-glucoside with trans-4-coumaric acid. It has the role of plant metabolite . Its functional parent is pelargonidin 3-O-beta-D-glucoside . Its functional parent is trans-4-coumaric acid . It is also related to or classified as cinnamate ester , monosaccharide derivative , anthocyanidin glycoside .


The molecule <smiles>CC(O)\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O</smiles> <smiles>CC(O)\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O</smiles> is 17-Hydroxylinolenic acid. It is also related to or classified as octadecatrienoic acid , (omega-1)-hydroxy fatty acid .


The molecule <smiles>C\C(CCC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C</smiles> <smiles>C\C(CCC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C</smiles> is A cyclic carotene that is beta-carotene which the double bond between positions 7 and 8 has been hydrogenated. It has the role of animal metabolite . It has the role of marine metabolite . It has the role of fungal metabolite . It has the role of bacterial metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as carotenoid beta-end derivative  . It is also related to or classified as cyclic carotene .


The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 4, 4' and 6 and a  beta-D-glucopyranosyloxy group at position 2' respectively. It has the role of antioxidant . It has the role of plant metabolite . Its functional parent is trans-chalcone . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as chalcones  . It is also related to or classified as resorcinols , monosaccharide derivative .


The molecule <smiles>CC(\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C</smiles> <smiles>CC(\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C</smiles> is beta-Isorenieratene. It is also related to or classified as carotenoid phi-end group  . It is also related to or classified as triterpenoid  .


The molecule <smiles>COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1</smiles> <smiles>COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1</smiles> is A  monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5 and a methoxy group at position 7 respectively. It has the role of antidote . It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as monomethoxyflavanone , monohydroxyflavanone .


The molecule <smiles>C(CCCC(O)=O)CCC/C=C\C=C\[C@H](C/C=C\CC)O</smiles> <smiles>C(CCCC(O)=O)CCC/C=C\C=C\[C@H](C/C=C\CC)O</smiles> is the (13S)-stereoisomer of HOTrE. It has the role of mouse metabolite . It is a conjugate acid of 13(S)-HOTrE(1-) . It is also related to or classified as 13-HOTrE  .


The molecule <smiles>Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1</smiles> <smiles>Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1</smiles> is A member of the class of  chalcones that is  trans-chalcone substituted by hydroxy groups at positions 2', 4' and 6' respectively. It has the role of antifungal agent . It has the role of plant metabolite . Its functional parent is trans-chalcone . It is also related to or classified as chalcones  .


The molecule <smiles>[C@H](NC([C@@H](NC([C@H](CCCNP(NS(O)(=O)=O)(=O)N)N)=O)C)=O)(CCCNC(N)=N)C(O)=O</smiles> <smiles>[C@H](NC([C@@H](NC([C@H](CCCNP(NS(O)(=O)=O)(=O)N)N)=O)C)=O)(CCCNC(N)=N)C(O)=O</smiles> is A tripeptide resulting from the formal condensation of the carboxy group of N(5)-[amino(sulfoamino)phosphoryl]-L-ornithine with the N-terminal amino group of L-alanyl-L-arginine. A toxin produced by cultured Pseudomonas syringae, the causal agent of halo blight disease in bean plants. It has the role of EC 2.1.3.3 (ornithine carbamoyltransferase) inhibitor . It has the role of antineoplastic agent . It has the role of bacterial metabolite . Its functional parent is sulfamic acid .  It is also related to or classified as tripeptide  . It is also related to or classified as guanidines .


The molecule <smiles>C1=C(C=CC(=C1)C=2C=CC(=CC2)N)N</smiles> <smiles>C1=C(C=CC(=C1)C=2C=CC(=CC2)N)N</smiles> is A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group. It has the role of carcinogenic agent . It is also related to or classified as biphenyls , substituted aniline .


The molecule <smiles>CNC(=O)NC</smiles> <smiles>CNC(=O)NC</smiles> is A member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3. It is also related to or classified as ureas .


The molecule <smiles>COc1cc(\C=C\C(=O)c2c(O)cc(O)cc2O)ccc1O</smiles> <smiles>COc1cc(\C=C\C(=O)c2c(O)cc(O)cc2O)ccc1O</smiles> is A member of the class of  chalcones that is  trans-chalcone substituted by hydroxy groups at positions 4, 2', 4' and 6' and a methoxy group at position 3. It has the role of plant metabolite . Its functional parent is trans-chalcone . It is also related to or classified as guaiacols  .  It is also related to or classified as chalcones  . It is also related to or classified as benzenetriol .


The molecule <smiles>O[C@@H]1C=CC(F)=C[C@@]1(O)C(O)=O</smiles> <smiles>O[C@@H]1C=CC(F)=C[C@@]1(O)C(O)=O</smiles> is 5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate.  It is also related to or classified as cyclohexadienediol  . It is also related to or classified as cyclohexadienecarboxylic acid , 3-hydroxy carboxylic acid .


The molecule <smiles>CCOc1ccc(N)cc1</smiles> <smiles>CCOc1ccc(N)cc1</smiles> is an aromatic ether that is aniline in which the hydrogen at position 4 is replaced by an ethoxy group. It is a hydrolysis metabolite of phenacetin. It has the role of drug metabolite . It is also related to or classified as aromatic ether , substituted aniline , primary amino compound .


The molecule <smiles>O[C@H]1C=CC=C[C@]1(O)F</smiles> <smiles>O[C@H]1C=CC=C[C@]1(O)F</smiles> is 1-Fluorocyclohexadiene-cis,cis-1,2-diol. It is also related to or classified as cyclohexadienediol  . It is also related to or classified as organic hydroxy compound .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c(C(=O)\C=C\c4ccc(O)cc4)c(O)c3)O[C@H](CO)[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](Oc3cc(O)c(C(=O)\C=C\c4ccc(O)cc4)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A disaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 6' and a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy group at position 4' respectively. Its functional parent is trans-chalcone . It is also related to or classified as chalcones  . It is also related to or classified as resorcinols , disaccharide derivative .


The molecule <smiles>O[C@H]1C(F)=CC=C[C@]1(O)C(O)=O</smiles> <smiles>O[C@H]1C(F)=CC=C[C@]1(O)C(O)=O</smiles> is 3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate.  It is also related to or classified as cyclohexadienediol  . It is also related to or classified as cyclohexadienecarboxylic acid , 3-hydroxy carboxylic acid .


The molecule <smiles>O[C@H]1C=C(F)C=C[C@]1(O)C(O)=O</smiles> <smiles>O[C@H]1C=C(F)C=C[C@]1(O)C(O)=O</smiles> is 4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate.  It is also related to or classified as cyclohexadienediol  . It is also related to or classified as cyclohexadienecarboxylic acid , 3-hydroxy carboxylic acid .


The molecule <smiles>[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O</smiles> <smiles>[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O</smiles> is A 3-oxo steroid that is 2-deoxyecdysone in which the 3-hydroxy group is replaced by an oxo group. It has the role of animal metabolite . It has the role of rat metabolite .     It is also related to or classified as 3-oxo steroid  . It is also related to or classified as 14alpha-hydroxy steroid , 22-hydroxy steroid , 25-hydroxy steroid , 6-oxo steroid .


The molecule <smiles>C=1C=C(OCC)C=CC1NC(C)=O</smiles> <smiles>C=1C=C(OCC)C=CC1NC(C)=O</smiles> is A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a 4-ethoxyphenyl group. It has the role of non-narcotic analgesic . It has the role of peripheral nervous system drug . It has the role of cyclooxygenase 3 inhibitor . Its functional parent is N-phenylacetamide . Its functional parent is paracetamol . Its functional parent is 4-ethoxyaniline . It is also related to or classified as acetamides , aromatic ether .


The molecule <smiles>O[C@H]1C=CC=C(F)[C@]1(O)C(O)=O</smiles> <smiles>O[C@H]1C=CC=C(F)[C@]1(O)C(O)=O</smiles> is 6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate.  It is also related to or classified as cyclohexadienediol  . It is also related to or classified as cyclohexadienecarboxylic acid , 3-hydroxy carboxylic acid .


The molecule <smiles>C\C(CC[C@H]1OC1(C)C)=C/CC\C(C)=C\C(O)=O</smiles> <smiles>C\C(CC[C@H]1OC1(C)C)=C/CC\C(C)=C\C(O)=O</smiles> is A member of the juvenile hormone family of compounds obtained by formal hydrolysis of the methyl ester group of juvenile hormone III. It is a conjugate acid of juvenile hormone III carboxylate . It is also related to or classified as juvenile hormone , polyunsaturated fatty acid , branched-chain fatty acid , olefinic fatty acid , epoxy fatty acid .


The molecule <smiles>[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O</smiles> <smiles>[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O</smiles> is A 3-oxo steroid that is 3-dehydroecdysone in which the hydroxy groups at positions 2 and 22 are replaced by hydrogen. It has the role of animal metabolite .    It is also related to or classified as 3-oxo steroid  . It is also related to or classified as 14alpha-hydroxy steroid , 25-hydroxy steroid , 6-oxo steroid .


The molecule <smiles>COC(=O)\C=C(/C)CC\C=C(/C)CC[C@H](O)C(C)(C)O</smiles> <smiles>COC(=O)\C=C(/C)CC\C=C(/C)CC[C@H](O)C(C)(C)O</smiles> is (10S)-Juvenile hormone III diol. It is also related to or classified as diol  . It is also related to or classified as methyl ester  .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as enoate ester  . It is also related to or classified as sesquiterpenoid .


The molecule <smiles>OC(=O)[C@@]1(O)C=CC=C[C@@]1(O)F</smiles> <smiles>OC(=O)[C@@]1(O)C=CC=C[C@@]1(O)F</smiles> is 2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate.  It is also related to or classified as cyclohexadienediol  . It is also related to or classified as cyclohexadienecarboxylic acid , 3-hydroxy carboxylic acid .


The molecule <smiles>COC(=O)\C=C(/C)CC\C=C(/C)CC[C@H](OP(O)(O)=O)C(C)(C)O</smiles> <smiles>COC(=O)\C=C(/C)CC\C=C(/C)CC[C@H](OP(O)(O)=O)C(C)(C)O</smiles> is (10S)-Juvenile hormone III diol phosphate. It is also related to or classified as methyl ester  .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as enoate ester  . It is also related to or classified as phosphate monoester  . It is also related to or classified as sesquiterpenoid .


The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is kaempferol substituted by a 2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is kaempferol .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as trihydroxyflavone , disaccharide derivative .


The molecule <smiles>C\C(CC[C@H]1OC1(C)C)=C/CC\C(C)=C\C([O-])=O</smiles> <smiles>C\C(CC[C@H]1OC1(C)C)=C/CC\C(C)=C\C([O-])=O</smiles> is A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of juvenile hormone III acid; major species at pH 7.3. It is also related to or classified as polyunsaturated fatty acid anion .


The molecule <smiles>COS([O-])(=O)=O.C[n+]1c2ccccc2nc2ccccc12</smiles> <smiles>COS([O-])(=O)=O.C[n+]1c2ccccc2nc2ccccc12</smiles> is 5-methylphenazinium methyl sulfate. It is also related to or classified as azaheterocycle sulfate salt , phenazines .


The molecule <smiles>COC(=O)\C=C(/C)CC\C=C(/C)CCC=C(C)C</smiles> <smiles>COC(=O)\C=C(/C)CC\C=C(/C)CCC=C(C)C</smiles> is A member of the juvenile hormone family of compounds that is the methyl ester of farnesoic acid. Found in several species of crustaceans. It has the role of crustacean metabolite . Its functional parent is farnesoic acid .  It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as enoate ester  . It is also related to or classified as juvenile hormone .


The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1</smiles> <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1</smiles> is A  C-glycosyl compound that is (S)-naringenin substituted by a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has the role of plant metabolite . Its functional parent is (S)-naringenin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as (2S)-flavan-4-one  . It is also related to or classified as C-glycosyl compound , trihydroxyflavanone .


The molecule <smiles>[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O</smiles> <smiles>[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O</smiles> is A 3beta-hydroxy steroid that is 5beta-cholestane containing a double bond between positions 7 and 8, and substituted by an oxo group at position 6 and by hydroxy groups at the 3beta, 14alpha, and 25 positions. It has the role of animal metabolite . It has the role of plant metabolite .  It is also related to or classified as 3beta-hydroxy steroid  .    It is also related to or classified as enone  . It is also related to or classified as C27-steroid , 14alpha-hydroxy steroid , 25-hydroxy steroid , 6-oxo steroid .


The molecule <smiles>CC\C=C\C\C=C\C\C=C\CCCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C\C\C=C\C\C=C\CCCCCCCCCCCC(O)=O</smiles> is 13,16,19-Docosatrienoic acid. It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>[C@@]123C4=C5C(=CC=C4C[C@H]([C@@]1(C=C[C@@H]([C@@H]2O5)O)[H])NCC3)OC</smiles> <smiles>[C@@]123C4=C5C(=CC=C4C[C@H]([C@@]1(C=C[C@@H]([C@@H]2O5)O)[H])NCC3)OC</smiles> is A morphinane-like compound that is the N-demethylated derivative of codeine. Its functional parent is codeine . It is also related to or classified as morphinane alkaloid .


The molecule <smiles>O[C@H]1C=CC(F)=C[C@H]1O</smiles> <smiles>O[C@H]1C=CC(F)=C[C@H]1O</smiles> is 4-Fluorocyclohexadiene-cis,cis-1,2-diol. It is also related to or classified as cyclohexadienediol  . It is also related to or classified as organic hydroxy compound .


The molecule <smiles>NC(=O)N1c2ccccc2C=Cc2ccc(O)cc12</smiles> <smiles>NC(=O)N1c2ccccc2C=Cc2ccc(O)cc12</smiles> is 3-Hydroxycarbamazepine. It is also related to or classified as dibenzoazepine  . It is also related to or classified as ureas .


The molecule <smiles>NP1(=O)OCCCN1CCCl</smiles> <smiles>NP1(=O)OCCCN1CCCl</smiles> is 2-Dechloroethylifosfamide. It is also related to or classified as organophosphorus compound , organonitrogen heterocyclic compound .


The molecule <smiles>OC(=O)CCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1</smiles> <smiles>OC(=O)CCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1</smiles> is Citalopram propionic acid. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .


The molecule <smiles>C1=2C(C=CC=3C(N1C(=O)N)=CC=CC3)=CC(=CC2)O</smiles> <smiles>C1=2C(C=CC=3C(N1C(=O)N)=CC=CC3)=CC(=CC2)O</smiles> is 2-Hydroxycarbamazepine. Its functional parent is 5H-dibenzo[b,f]azepin-2-ol . It is also related to or classified as dibenzoazepine  . It is also related to or classified as ureas .


The molecule <smiles>NC(=O)N1c2ccccc2C=Cc2cc(O)c(O)cc12</smiles> <smiles>NC(=O)N1c2ccccc2C=Cc2cc(O)c(O)cc12</smiles> is 2,3-Dihydroxycarbamazepine. It is also related to or classified as dibenzoazepine  . It is also related to or classified as ureas .


The molecule <smiles>NC(=O)NCC(F)C(O)=O</smiles> <smiles>NC(=O)NCC(F)C(O)=O</smiles> is alpha-Fluoro-beta-ureidopropionic acid. It is also related to or classified as organohalogen compound  . It is also related to or classified as carboxylic acid  .


The molecule <smiles>OCCCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1</smiles> <smiles>OCCCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1</smiles> is Citalopram alcohol. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .


The molecule <smiles>NCC(F)C(O)=O</smiles> <smiles>NCC(F)C(O)=O</smiles> is alpha-Fluoro-beta-alanine. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CCN(CC)CC(O)=O</smiles> <smiles>CCN(CC)CC(O)=O</smiles> is an N-alkyl glycine that is glycine in which the amino group is replaced by a diethylnitrilo group. It has the role of drug metabolite . It is also related to or classified as N-alkylglycine  .


The molecule <smiles>NC(=N)NC(=N)NCCC1=CC=CC=C1</smiles> <smiles>NC(=N)NC(=N)NCCC1=CC=CC=C1</smiles> is A member of the class of biguanides that is  biguanide in which one of the terminal nitrogen atoms is substituted by a 2-phenylethyl group. It was used as an anti-diabetic drug but was later withdrawn from the market due to potential risk of  lactic acidosis. It has the role of geroprotector . It has the role of hypoglycemic agent . It has the role of antineoplastic agent . Its functional parent is biguanide . It is also related to or classified as biguanides .


The molecule <smiles>C1(=CC=C2C(=C1)C(=C3C(=N2)C=4N(C3)C(C5=C(C4)[C@](C(OC5)=O)(CC)O)=O)CC)OC(=O)N6CCC(CC6)N7CCCCC7</smiles> <smiles>C1(=CC=C2C(=C1)C(=C3C(=N2)C=4N(C3)C(C5=C(C4)[C@](C(OC5)=O)(CC)O)=O)CC)OC(=O)N6CCC(CC6)N7CCCCC7</smiles> is A member of the class of pyranoindolizinoquinolines that is the carbamate ester obtained by formal condensation of the carboxy group of [1,4'-bipiperidine]-1'-carboxylic acid with the phenolic hydroxy group of (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2- hydrochloride]quinoline-3,14-dione. Used (in the form of its hydrochloride salt trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has the role of antineoplastic agent . It has the role of prodrug . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . It has the role of apoptosis inducer . Its functional parent is SN-38 . It is also related to or classified as delta-lactone  .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as carbamate ester , ring assembly , N-acylpiperidine , pyranoindolizinoquinoline , tertiary amino compound .


The molecule <smiles>C1CCN(CC1)C1(CCCCC1)c1ccccc1</smiles> <smiles>C1CCN(CC1)C1(CCCCC1)c1ccccc1</smiles> is A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group.  Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. It has the role of psychotropic drug . It has the role of anaesthetic . It has the role of neurotoxin . It has the role of NMDA receptor antagonist . It is also related to or classified as benzenes , piperidines .


The molecule <smiles>CN(C)(=O)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1</smiles> <smiles>CN(C)(=O)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1</smiles> is Citalopram N-oxide. It is also related to or classified as benzenes , organic amino compound .


The molecule <smiles>Fc1ccc(cc1)C1(CCC=O)OCc2cc(ccc12)C#N</smiles> <smiles>Fc1ccc(cc1)C1(CCC=O)OCc2cc(ccc12)C#N</smiles> is Citalopram aldehyde. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .


The molecule <smiles>Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O</smiles> <smiles>Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O</smiles> is an alkyl caffeate ester in which 2-phenylethyl is the alkyl component. It has the role of antioxidant . It has the role of antiviral agent . It has the role of metabolite . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of immunomodulator . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It is also related to or classified as alkyl caffeate ester  .


The molecule <smiles>O=C1C(C(=O)c2ccccc12)c1ccccc1</smiles> <smiles>O=C1C(C(=O)c2ccccc12)c1ccccc1</smiles> is phenindione. It has the role of anticoagulant . It is also related to or classified as beta-diketone , aromatic ketone .


The molecule <smiles>CC1NCCOC1c1ccccc1</smiles> <smiles>CC1NCCOC1c1ccccc1</smiles> is A member of the class of morpholines that is morpholine substituted with a phenyl group at position 2 and a methyl group at position 3. It has the role of metabolite . It has the role of sympathomimetic agent . Its functional parent is morpholine . It is also related to or classified as morpholines .


The molecule <smiles>COc1cc2CC[C@H](N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC</smiles> <smiles>COc1cc2CC[C@H](N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC</smiles> is Deacetylcolchicine.  It is also related to or classified as alkaloid  . It is also related to or classified as acetamides , carbotricyclic compound .


The molecule <smiles>C[C@H](N)[C@H](O)C1=CC=CC=C1</smiles> <smiles>C[C@H](N)[C@H](O)C1=CC=CC=C1</smiles> is an amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid. It has the role of plant metabolite . It is also related to or classified as amphetamines , phenethylamine alkaloid .


The molecule <smiles>[Na+].CCC1(C(=O)NC([O-])=NC1=O)c1ccccc1</smiles> <smiles>[Na+].CCC1(C(=O)NC([O-])=NC1=O)c1ccccc1</smiles> is A barbiturate that is the sodium salt of phenobarbital (barbituric acid substituted at C-5 by ethyl and phenyl groups). It is also related to or classified as barbiturates  . It is also related to or classified as organic sodium salt .


The molecule <smiles>COc1cc2CC[C@H](N(C)C=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC</smiles> <smiles>COc1cc2CC[C@H](N(C)C=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC</smiles> is N-Formyldemecolcine.  It is also related to or classified as alkaloid  . It is also related to or classified as acetamides , carbotricyclic compound .


The molecule <smiles>NC(=O)OCC(O)(COC(N)=O)c1ccccc1</smiles> <smiles>NC(=O)OCC(O)(COC(N)=O)c1ccccc1</smiles> is 2-Hydroxyfelbamate.   It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzyl alcohols , carbamate ester .


The molecule <smiles>NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O</smiles> <smiles>NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O</smiles> is A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens. It has the role of plant metabolite . Its functional parent is D-mannitol . It is also related to or classified as L-glutamine derivative , dicarboxylic acid monoamide , secondary amino compound , hexitol derivative , amino acid opine , non-proteinogenic L-alpha-amino acid .


The molecule <smiles>C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O</smiles> <smiles>C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O</smiles> is A retinoid that consists of all-trans-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring. It has the role of human xenobiotic metabolite . Its functional parent is all-trans-retinoic acid . It is also related to or classified as retinoid  . It is also related to or classified as enone  .


The molecule <smiles>Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(O)=C7C(=O)c8c(O)cc(C)cc8C(=O)C467)C35C(=O)c2c1</smiles> <smiles>Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(O)=C7C(=O)c8c(O)cc(C)cc8C(=O)C467)C35C(=O)c2c1</smiles> is Rugulosin. It is also related to or classified as cyclic ketone , organic polycyclic compound .


The molecule <smiles>C[C@@]1(O)C2=Nc3c(NC[C@H]2[C@H](C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]11C(=O)Nc2cc(Br)ccc12)[nH]c(=O)[nH]c3=O</smiles> <smiles>C[C@@]1(O)C2=Nc3c(NC[C@H]2[C@H](C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]11C(=O)Nc2cc(Br)ccc12)[nH]c(=O)[nH]c3=O</smiles> is Neosurugatoxin. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>[C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC=C(C4)O)Br)OC)C)[H])=O)[H])=O)O</smiles> <smiles>[C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC=C(C4)O)Br)OC)C)[H])=O)[H])=O)O</smiles> is the parent member of the class of aplysiatoxins. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. It has the role of carcinogenic agent . It has the role of protein kinase C agonist . It has the role of marine metabolite . It has the role of algal metabolite . It has the role of cyanotoxin . It is also related to or classified as ether  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as organic heterotricyclic compound , bromophenol , cyclic hemiketal , spiroketal , aplysiatoxins .


The molecule <smiles>[C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC(=C(C4)O)Br)Br)OC)C)[H])=O)[H])=O)O</smiles> <smiles>[C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC(=C(C4)O)Br)Br)OC)C)[H])=O)[H])=O)O</smiles> is A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is carrying an additional bromo substituent on the benzene ring at the position ortho to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. It has the role of carcinogenic agent . It has the role of marine metabolite . It has the role of cyanotoxin . It is also related to or classified as ether  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as organic heterotricyclic compound , bromophenol , cyclic hemiketal , spiroketal , aplysiatoxins .


The molecule <smiles>COC(=O)C1=CCCNC1</smiles> <smiles>COC(=O)C1=CCCNC1</smiles> is the methyl ester of guvacine. It has the role of muscarinic agonist . It has the role of plant metabolite . Its functional parent is guvacine . It is also related to or classified as methyl ester  .    It is also related to or classified as enoate ester  . It is also related to or classified as pyridine alkaloid , tetrahydropyridine , secondary amino compound , beta-amino acid ester , alpha,beta-unsaturated carboxylic ester .


The molecule <smiles>N1=CN=C2C(N1C)=NC(N(C2=O)C)=O</smiles> <smiles>N1=CN=C2C(N1C)=NC(N(C2=O)C)=O</smiles> is A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. It has the role of toxin . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of virulence factor . It has the role of bacterial metabolite . It has the role of Wnt signalling inhibitor . Its functional parent is reumycin . It is also related to or classified as pyrimidotriazine , carbonyl compound .


The molecule <smiles>COc1c2C[C@@H](Oc2nc2ccccc12)C(C)(C)O</smiles> <smiles>COc1c2C[C@@H](Oc2nc2ccccc12)C(C)(C)O</smiles> is Platydesmine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .


The molecule <smiles>Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(O)=C7C(=O)c8c(O)cc(C)c(O)c8C(=O)C467)C35C(=O)c2c1O</smiles> <smiles>Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(O)=C7C(=O)c8c(O)cc(C)c(O)c8C(=O)C467)C35C(=O)c2c1O</smiles> is Luteoskyrin. It is also related to or classified as cyclic ketone , organic polycyclic compound .