mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>Oc1c(Cl)cc2c(oc3cc(Cl)c(Cl)c(Cl)c23)c1Cl</smiles> is A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a hydroxy group at position 3 and chloro groups at positions 2, 4, 7, 8 and 9 respectively. It is also related to or classified as phenols . It is also related to or classified as organochlorine compound . It is also related to or classified as dibenzofurans.
The molecule <smiles>Oc1c(Cl)cc(cc1Cl)-c1cc(Cl)ccc1Cl</smiles> is A member of the class of  hydroxybiphenyls that is biphenyl-4-ol substituted by chloro groups at positions 2', 3, 5 and 5' respectively. It is also related to or classified as dichlorobenzene . It is also related to or classified as hydroxybiphenyls .
The molecule <smiles>CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C</smiles> is A steroid ester that is pregn-4-en-21-yl acetate substituted by oxo groups at positions 3 and 20, hydroxy groups at positions 11 and 17 and a fluoro group at position 6. 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>Oc1cc2oc3ccc(Cl)cc3c2cc1Cl</smiles> is A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by chloro groups at positions 2 and 8 and a hydroxy group at position 3. It is also related to or classified as phenols . It is also related to or classified as organochlorine compound . It is also related to or classified as dibenzofurans.
The molecule <smiles>C[C@@H]1C[C@@H]2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCC2=CC1=O</smiles> is A 3-oxo Delta(4)-steroid that is estr-4-ene substituted by a beta-hydroxy group at position 17 and an alpha-methyl group at position 2. 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>CCC(=O)O[C@H]1[C@@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A steroid ester that is androst-4-en-17beta-yl propanoate substituted by an oxo group at position 3 and a fluoro group at position 17. Its functional parent is testosterone.  It is also related to or classified as 3-oxo-Delta(4) steroid . It is also related to or classified as steroid ester, fluorinated steroid.
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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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.