mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <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which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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.