mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>O=C([C@@H](N)CCCN=C(N)N)CCCCCCCCN=C(N)N</smiles> is Muscarinic receptor antagonist 1. It is also related to or classified as ketone . It is also related to or classified as organic amino compound.
The molecule <smiles>S(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(OP(O)(O)=O)(O)=O)N2C(=O)NC(=O)C=C2)(O[C@H]([C@H](O)[C@@H](N)C(=O)C(=O)C)[C@H](O)CO)(=O)=O</smiles> is Uridine diphosphate acetylgalactosamine 4-sulfate. It is also related to or classified as pyrimidine ribonucleoside diphosphate.
The molecule <smiles>Oc1ccc(CCC(=O)c2ccc(O)cc2O)cc1</smiles> is A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', and 4' respectively. It has the role of antioxidant. It has the role of metabolite. It has the role of anti-allergic agent. It has the role of anti-asthmatic agent. Its functional parent is dihydrochalcone. It is also related to or classified as polyphenol, dihydrochalcones.
The molecule <smiles>O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)C=C2O)CO)C6OC(C(O)C(O)C6O)COC(=O)/C=C/C7=CC(OC)=C(O)C=C7</smiles> is Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)CCC(C)(C)O)O)O</smiles> is a 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5. It is a 23,24-dihydrocucurbitacin, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone.
The molecule <smiles>O=C1C=C2[C@]([C@H]3C(O)C[C@@]4([C@](O)(C)CC[C@H]4[C@@H]3CC2)C)(C)CC1</smiles> is 11-hydroxy-17-methyltestosterone. It has the role of androgen. It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(O)CO)CO</smiles> is A 3-D-galactosyl glycerol in which the carbon bearing the anomeric hydrogen has beta configuration. It is also related to or classified as 3-D-galactosyl glycerol .
The molecule <smiles>C12=C(C=CN=C1C=CC(=C2)C(N)=O)C=3C(=NN4C3CCC4)C=5N=C(C=CC5)C</smiles> is A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. It has the role of antineoplastic agent. It has the role of TGFbeta receptor antagonist.   It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as methylpyridines, quinolines, pyrrolopyrazole, aromatic amide.
The molecule <smiles>O=C([O-])[C@@H](NC(=O)C)[C@H](O)C</smiles> is A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-threonine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion . It is also related to or classified as N-acyl-L-alpha-amino acid anion .
The molecule <smiles>Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(C[C@H](O)C(C4)=C)C)OC1(C)C)=O</smiles> is Napyradiomycin C. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O1CC(C2=CC(C(C)(C)C=C)=C(O)C=C2OC)C(=O)C=3C1=CC(OC)=CC3O</smiles> is Echinoisosophoranone. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>[Gd+3]</smiles> is gadolinium(3+).  It is also related to or classified as monoatomic trication . It is also related to or classified as gadolinium cation, elemental gadolinium.
The molecule <smiles>[H]O[Cr]([O-])(=O)=O</smiles> is A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in chromic acid. It is a conjugate acid of chromate(2-). It is also related to or classified as chromium oxoanion, monovalent inorganic anion.
The molecule <smiles>CCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC</smiles> is a phosphatidylcholine O-32:1 in which the alkyl and acyl groups specified at positions 1 and 2 are tetradecyl and (9Z)-octadecenoyl respectively. It is a phosphatidylcholine O-32:1 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from an oleic acid.
The molecule <smiles>C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3</smiles> is N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O</smiles> is A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and development in plants. Initially identified in Gibberella fujikuroi, it differs from gibberellin A1 in lacking the OH at C-7 (gibbane numbering). It has the role of mouse metabolite. It has the role of plant metabolite. It has the role of bacterial metabolite.  It is also related to or classified as lactone . It is also related to or classified as C19-gibberellin, gibberellin monocarboxylic acid.
The molecule <smiles>C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> is (3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]35[C@@H](C[C@]2(C[C@H](C1)O)[H])O5)(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C</smiles> is A cholestanoid that is lathosterol in which the double bond at position 7,8 has been oxidised to the corresponding epoxide (the 7alpha,8alpha stereoisomer). It has the role of human metabolite. Its functional parent is 5alpha-cholest-7-en-3beta-ol.  It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as epoxy steroid, cholestanoid.
The molecule <smiles>C=1(C=CC=C(C1OC)OS([O-])(=O)=O)O</smiles> is A phenyl sulfate oxoanion that is the conjugate base of 2-methoxyresorcinol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It has the role of human blood serum metabolite. It is also related to or classified as phenyl sulfate oxoanion .
The molecule <smiles>C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)NC4=C(C=CC(=C4O)C(=O)OC)O</smiles> is a polycyclic cage that is the methyl ester derivative of platencin A1. It is isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ketone, a polycyclic cage, a secondary alcohol, an aromatic amide, a methyl ester and a secondary carboxamide. It derives from a platencin A1.
The molecule <smiles>CCC=C(C)C(OC(=O)[C@@H]1C(C=C(C)C)C1(C)C)C#C</smiles> is (EZ)-(1R)-empenthrin. It has the role of pyrethroid ester insecticide. Its functional parent is chrysanthemic acid.  It is also related to or classified as terminal acetylenic compound . It is also related to or classified as cyclopropanecarboxylate ester.
The molecule <smiles>S([C@]1(N(C(=O)/C(=C/C2=CC=CC=C2)/N(C1=O)C)C)CO)C</smiles> is ( Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>C[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O</smiles> is dianion of GDP-6-deoxy-alpha-D-talose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is a conjugate base of a GDP-6-deoxy-alpha-D-talose.
The molecule <smiles>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1</smiles> is A pyrimidine nucleoside in which cytosine is attached to D-arabinofuranose via a beta-N(1)-glycosidic bond. Used mainly in the treatment of leukaemia, especially acute non-lymphoblastic leukaemia, cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. It also has antiviral and immunosuppressant properties. It has the role of antiviral agent. It has the role of antimetabolite. It has the role of antineoplastic agent. It has the role of immunosuppressive agent. Its functional parent is cytosine. It is also related to or classified as pyrimidine nucleoside, beta-D-arabinoside, monosaccharide derivative.
The molecule <smiles>ClC=1C(=N)C=2NC(C(=O)OC)=CC=3C2C(C1N)=NC3O</smiles> is Ammosester C. It is also related to or classified as organohalogen compound . It is also related to or classified as quinolines.
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@]2(C[C@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C</smiles> is A cholestanoid that is 5alpha-cholestan-3beta-ol carrying an additional oxo substituent at position 7. It has the role of human metabolite. Its functional parent is (5alpha)-cholestan-3beta-ol. 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 cholestanoid.
The molecule <smiles>C=1(C=CC=C(C1OC)OS(O)(=O)=O)O</smiles> is an aryl sulfate that is pyrogallol in which the phenolic hydrogens at positions 1 and 2 are replaced by sulfo and methyl groups respectively. It has the role of human blood serum metabolite. Its functional parent is pyrogallol. It is a conjugate acid of 2-methoxyresorcinol sulfate(1-). It is also related to or classified as guaiacols . It is also related to or classified as aryl sulfate.
The molecule <smiles>[In]</smiles> is A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum. It is also related to or classified as post-transition metal atom, boron group element atom.
The molecule <smiles>O=C1C=C2[C@](O)(CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C)O[C@@H]1C(O)(C)C</smiles> is 7a-Hydroxy-13-desoxypaxilline. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(OC)C(OC)=C4)C=C(OC)C2)C)[C@@H]5OC[C@@H](O)[C@H](O)C5O</smiles> is Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1</smiles> is an acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. It is an acene and a member of tetracenes.
The molecule <smiles>[H]C(=O)\C=C\C(C([O-])=O)=C(\O)C([O-])=O</smiles> is A dicarboxylic acid dianion arising from deprotonation of both carboxy groups of 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> is 4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CCCCCC/C=C\\CCCCCCCC(=O)N</smiles> is a primary fatty amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with ammonia. It has a role as a fungal metabolite and a human metabolite. It derives from a palmitoleic acid.
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC=C2C[C@H](C1)O)(CC[C@@]4([C@@H](CC[C@@H](C(C)C)O)C)[H])[H])C)[H])C</smiles> is A cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 24 (24S-stereoisomer). It has the role of human metabolite. Its functional parent is cholesta-5,7-dien-3beta-ol.  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid . It is also related to or classified as C27-steroid, 24-hydroxy steroid, cholestanoid.
The molecule <smiles>[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O</smiles> is 3-dehydroecdysone. Its functional parent is ecdysone. It is also related to or classified as secondary alpha-hydroxy ketone . It is also related to or classified as 3-oxo steroid .
The molecule <smiles>O=C(O)[C@@]1(O)C2(OC(CCC[C@@H](OC(=O)C)[C@@H](C/C=C/C3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CCCCCCC)O)C(=O)O</smiles> is Zaragozic acid D. Its functional parent is hexacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>[Sr++]</smiles> is strontium(2+). It has the role of cofactor. It is also related to or classified as monoatomic dication . It is also related to or classified as strontium cation, divalent metal cation.
The molecule <smiles>C(C(C(=O)O)O)S(=O)(=O)O</smiles> is the C-sulfonato derivaive of lactic acid. It derives from a rac-lactic acid. It is a conjugate acid of a 3-sulfonatolactate(2-).
The molecule <smiles>[H][C@@](C)(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C</smiles> is an acyl-CoA(4-) that is the tetraanion of 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups. It has the role of human metabolite. It is also related to or classified as steroidal acyl-CoA(4-) .
The molecule <smiles>COC1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1</smiles> is A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 5, while the other phenyl group is substituted by a methoxy group at position 3 and a hydroxy group at position 4. It natural product isolated from the seeds of Aiphanes aculeata and has antioxidant, anti-tumour, and anti-inflammatory effects. It has the role of antioxidant. It has the role of antiviral agent. It has the role of hypoglycemic agent. It has the role of antineoplastic agent. It has the role of anti-inflammatory agent. It has the role of plant metabolite. It has the role of cardioprotective agent. Its functional parent is piceatannol. It is also related to or classified as guaiacols .   It is also related to or classified as stilbenol . It is also related to or classified as polyphenol, resorcinols.
The molecule <smiles>O=C(N[C@@H](C)C(O)=O)CCCCCCCCCCCCCCCCC</smiles> is N-Stearoyl alanine. It is a conjugate acid of N-stearoyl-L-alaninate. It is also related to or classified as N-acyl-L-amino acid.
The molecule <smiles>C[C@@H]1CC(=O)[C@@H](O)C(O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O</smiles> is A dTDP-sugar having 3-dehydro-4,6-dideoxy-D-glucose as the sugar component. Its functional parent is dTDP-D-glucose. It is also related to or classified as dTDP-sugar . It is also related to or classified as secondary alpha-hydroxy ketone .
The molecule <smiles>C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3</smiles> is N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[C@H](CSC)(C(O)=O)N</smiles> is A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group. It has the role of plant metabolite. It has the role of human urinary metabolite. It is also related to or classified as S-alkyl-L-cysteine .
The molecule <smiles>O=C1C(C=2C(=O)[C@@](OC(=O)C)(C(=O)C=3C2[C@@H](OC(=O)C)[C@@]4(O[C@@H](CCC4)C)OC3)C)=C5C(=CO[C@@]6([C@@H]5OC(=O)C)O[C@H](CCC6)C)C([C@@]1(OC(=O)C)C)=O</smiles> is Cochliodone C. Its functional parent is tetracarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>[H]OP([H])([H])=O</smiles> is A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to two hydrogens and a hydroxy group and via a double bond to an oxygen. The parent of the class of phosphinic acids. It has the role of antioxidant. It is a conjugate acid of phosphinate. It is also related to or classified as phosphinic acids, phosphorus oxoacid.
The molecule <smiles>C1C2=CC=CC=C2C3=CC=CC=C31</smiles> is an ortho-fused tricyclic hydrocarbon that is a major component of fossil fuels and their derivatives It is an ortho-fused polycyclic arene and an ortho-fused tricyclic hydrocarbon.
The molecule <smiles>O=C(N[C@@H](CC(C)C)C(O)=O)CCCCCCCCCCCCCCC</smiles> is N-Palmitoyl leucine. It is a conjugate acid of N-palmitoyl-L-leucinate. It is also related to or classified as leucine derivative.
The molecule <smiles>O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO</smiles> is an amino disaccharide consisting of alpha-D-mannopyranose and 2-acetamido-2-deoxy-beta-D-glucopyranose joined in sequence by a (1->4) glycosidic bond. Its functional parent is N-acetyl-beta-D-glucosamine. Its functional parent is alpha-D-mannose. It is also related to or classified as acetamides, amino disaccharide, glycosylglucose derivative.
The molecule <smiles>O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C</smiles> is Anthcolorin D. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)CO</smiles> is A glycosyl alditol consisting of beta-D-glucopyranose and D-glucitol joined in sequence by a (1->6) glycosidic bond. Its functional parent is beta-D-glucose. Its functional parent is D-glucitol. It is also related to or classified as glycosyl alditol.
The molecule <smiles>N([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)C(CCOCCOCCOCCOCCNC(CCN4C(C=CC4=O)=O)=O)=O</smiles> is A trisaccharide derivative in which a trisaccharide consisting of alpha-D-galactose, beta-D-galactose and beta-D-glucose residues linked sequentially (1->3) and (1->4), with the glucosyl residue at the reducing end being linked glycosidically to the terminal amide nitrogen of 19-maleimido-17-oxo-4,7,10,13-tetraoxa-16-azanonadecan-1-amide. It is also related to or classified as maleimides, trisaccharide derivative.
The molecule <smiles>[H]OSO[H]</smiles> is dihydroxidosulfur. It is a conjugate acid of hydroxidooxidosulfate(1-). It is also related to or classified as sulfur oxoacid.
The molecule <smiles>O=C(O)[C@@H]1[C@H](O)[C@H](O)[C@H](NC(=O)C)NC1</smiles> is A-72363 C.  It is also related to or classified as carboxylic acid . It is also related to or classified as piperidines.
The molecule <smiles>CCOc1ccc(cc1)[Si](C)(C)CCCc1ccc(F)c(Oc2ccccc2)c1</smiles> is an organosilicon compound that is dimethylsilane in which one of the hydrogens attached to the silicon is replaced by a 4-ethoxyphenyl group, while the other is replaced by a 3-(4-fluoro-3-phenoxyphenyl)propyl group. It is an insecticide used to control soil-borne insects. It has the role of pyrethroid ether insecticide. Its functional parent is 4-(trimethylsilyl)phenol.   It is also related to or classified as organofluorine compound . It is also related to or classified as organosilicon compound, aromatic ether.
The molecule <smiles>CC(C)(CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O)O</smiles> is a member of the class of pterocarpans that is phaseollidin in which the prenyl group is replaced by a 3-hydroxy-3-methylbutyl group. It has a role as a phytoalexin. It derives from a phaseollidin.
The molecule <smiles>O=C1C2=C(OC=C1C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]4O)O)C=C3)C=C(O)C=C2O</smiles> is Genistein 4'-O-glucuronide. It is also related to or classified as acrovestone . It is also related to or classified as isoflavonoid.
The molecule <smiles>[C@H](CSC)(C([O-])=O)[NH3+]</smiles> is an S-alkyl-L-cysteine zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-methylcysteine; major species at pH 7.3. It is also related to or classified as S-alkyl-L-cysteine zwitterion .
The molecule <smiles>O=C1O[C@@H](C[C@@H](OC(=O)C)C(=O)C[C@H](CC1)O)C</smiles> is 8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide. It is also related to or classified as ketone . It is also related to or classified as carboxylic ester .
The molecule <smiles>[H]P([O-])(=O)CC(=O)C([O-])=O</smiles> is A 2-oxo monocarboxylic acid anion arising from deprotonation of the carboxy and hydroxyphosphinyl groups of (hydroxyphosphinyl)pyruvic acid; major species at pH 7.3. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>CCCCCC1CCCC(=O)O1</smiles> is a delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6. It has a role as a metabolite. It derives from a 5-valerolactone.
The molecule <smiles>CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(O)CC(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1C)C(O)=O)C(O)CC(=O)c1ccc(N)cc1</smiles> is A 38-membered ring lactone containing seven (E)-double bonds between positions 22 and 35 and substituted by hydroxy groups at positions 9, 11, 13, 17 and 19, oxo groups at positions 3, 7 and 15, a carboxy group at position 18, a 3-amino-3,6-dideoxymannopyranosyloxy group at position 21, a methyl group at position 36 and a 7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl group at position 37. It is the major component of candicidin, a mixture of antifungal heptaene macrolides obtained from a strain of Streptomyces griseus. It has the role of bacterial metabolite. It has the role of antifungal drug. It is also related to or classified as macrolide antibiotic, polyene antibiotic.
The molecule <smiles>CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O</smiles> is A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. It has the role of bone density conservation agent.  It is also related to or classified as isoflavones . It is also related to or classified as aromatic ether.
The molecule <smiles>[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1</smiles> is A cardenolide glycoside that is gitoxigenin in which the 3beta-hydroxy group has been glycosylated with tridigitoxose. Its functional parent is gitoxigenin. It is also related to or classified as cardenolide glycoside.
The molecule <smiles>O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]8O[C@@H]([C@@H](N[C@H]9C=C([C@@H](O)[C@@H]([C@H]9O)O)CO)[C@@H]([C@H]8O)O)C</smiles> is Acarviostatin II03. It is also related to or classified as glycoside . It is also related to or classified as amino cyclitol.