mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCC\C=C\[C@@H](C)CCOS(O)(=O)=O</smiles> is A sulfuric ester obtained by the formal condensation of (3S,4E)-3-methyldec-4-en-1-ol with sulfuric acid. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3S,4E)-3-methyldec-4-en-1-yl sulfate.  It is also related to or classified as sulfuric ester . It is also related to or classified as organic sulfate.
The molecule <smiles>CC(C)CCC[C@H](C)COS([O-])(=O)=O</smiles> is the (S)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex. It is also related to or classified as 2,6-dimethylheptyl sulfate .
The molecule <smiles>CCCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by an octyl group. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of octylsulfamate. It is also related to or classified as sulfamic acids.
The molecule <smiles>CC(C)CCC[C@@H](C)CCCOS(O)(=O)=O</smiles> is an alkyl sulfate that is the sulfuric ester of (4R)-4,8-dimethylnonan-1-ol. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (4R)-4,8-dimethylnonyl sulfate. It is also related to or classified as alkyl sulfate.
The molecule <smiles>CCCCCCCCOS(O)(=O)=O</smiles> is an alkyl sulfate that is the sulfuric ester of  octan-1-ol. It has the role of kairomone. It has the role of Daphnia pulex metabolite. Its functional parent is octan-1-ol. It is a conjugate acid of n-octyl sulfate. It is also related to or classified as alkyl sulfate.
The molecule <smiles>CCCCCCCCCCOS(O)(=O)=O</smiles> is an alkyl sulfate that is the sulfuric ester of decanol. It has the role of kairomone. It has the role of Daphnia pulex metabolite. Its functional parent is decan-1-ol. It is a conjugate acid of decyl sulfate. It is also related to or classified as alkyl sulfate.
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CC[C@]34C)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1CC[C@@H]2O</smiles> is A steroid saponin that is 5alpha-androstane-3alpha,17beta-diol attached to a alpha-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has the role of Daphnia magna metabolite. Its functional parent is 5alpha-androstane-3alpha,17beta-diol. It is also related to or classified as alpha-D-glucoside . It is also related to or classified as 17beta-hydroxy steroid . It is also related to or classified as androstanoid, steroid saponin, monosaccharide derivative.
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](C[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> is A steroid saponin that is 6beta-hydroxytestosterone attached to a alpha-D-glucopyranosyl residue at position 6 via glycosidic linkage. It has the role of Daphnia magna metabolite. Its functional parent is 6beta-hydroxytestosterone. It is also related to or classified as alpha-D-glucoside . 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 steroid saponin, monosaccharide derivative.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O</smiles> is A polyunsaturated fatty acid that is hexadecanoic acid with unsaturation at positions 4, 7, 10 and 13. It is found in Daphnia galeata. It has the role of Daphnia galeata metabolite. It is also related to or classified as long-chain fatty acid . It is also related to or classified as polyunsaturated fatty acid, straight-chain fatty acid.
The molecule <smiles>CCCCCC\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z)-dec-3-en-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate.  It is also related to or classified as sulfuric ester . It is also related to or classified as organic sulfate.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C(O)=O</smiles> is A  polyunsaturated fatty acid that is icosanoic acid having unsaturation at positions 2, 5, 8, 11, 14 and 17. It has been found in  Daphnia galeata. It has the role of Daphnia galeata metabolite. It is also related to or classified as long-chain fatty acid . It is also related to or classified as polyunsaturated fatty acid, straight-chain fatty acid.
The molecule <smiles>CCCCCCC=CCCCC([O-])=O</smiles> is A dodecenoate that is the conjugate base of 5-dodecenoic acid. It has the role of human metabolite. It is also related to or classified as dodecenoate.
The molecule <smiles>CC(C)CCC[C@@H](C)COS(O)(=O)=O</smiles> is the (R)-enantiomer of 2,6-dimethylheptyl hydrogen sulfate. It is a conjugate acid of (2R)-2,6-dimethylheptyl sulfate. It is also related to or classified as 2,6-dimethylheptyl hydrogen sulfate .
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[C@H]1O[C@H](CO)[C@@H](O)C(O)C1O</smiles> is A  steroid saponin that is the alpha-D-glucopyranosyl derivative of testosterone. It has been found in Daphnia magna. It has the role of Daphnia magna metabolite. Its functional parent is testosterone. It is also related to or classified as alpha-D-glucoside . It is also related to or classified as 3-oxo-Delta(4) steroid . It is also related to or classified as steroid saponin, monosaccharide derivative.
The molecule <smiles>CCCCCCCCC=CCCCCCCCCC([O-])=O</smiles> is A monounsaturated fatty acid anion that is the conjugate base of 10-nonadecenoic acid. It has the role of human metabolite. It is also related to or classified as long-chain fatty acid anion .  It is also related to or classified as monounsaturated fatty acid anion . It is also related to or classified as straight-chain fatty acid anion.
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](O)C[C@]34C)[C@@H]1CC[C@@H]2O</smiles> is an androstanoid that is testosterone substituted by a alpha-hydroxy group at position 2. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has the role of androgen. It has the role of Daphnia magna metabolite. Its functional parent is testosterone. It is also related to or classified as secondary alpha-hydroxy ketone . 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 2alpha-hydroxy steroid, androstanoid.
The molecule <smiles>CCCCCCC=CCCCC(O)=O</smiles> is A dodecenoic acid having its double bond in the 5-position. It has the role of human metabolite. It is a conjugate acid of 5-dodecenoate. It is also related to or classified as dodecenoic acid.
The molecule <smiles>CCCCCCCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of octyl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of marine metabolite. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CC(C)Oc1ccc(C(=O)C(C)(C)NC(=O)c2sccc2C)c(C)c1</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-methylthiophene-2-carboxylic acid with the amino group of 2-amino-1-(4-isopropoxy-2-methylphenyl)-2-methylpropan-1-one. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It has the role of antifungal agrochemical. It is also related to or classified as thiophenes, aromatic ether, amide fungicide, aromatic amide, aromatic ketone.
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H](O)[C@@H]2O</smiles> is an androstanoid that is  testosterone substituted by a beta-hydroxy group at position 16. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has the role of androgen. It has the role of Daphnia magna metabolite. Its functional parent is testosterone. It is also related to or classified as 16beta-hydroxy steroid . 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.
The molecule <smiles>CCCCCCCCC=CCCCCCCCCC(O)=O</smiles> is A monounsaturated fatty acid that is nonadecanoic acid with a double bond at position 10. It has the role of human metabolite. It is a conjugate acid of 10-nonadecenoate. It is also related to or classified as long-chain fatty acid . It is also related to or classified as monounsaturated fatty acid, straight-chain fatty acid.
The molecule <smiles>CCCCCCCCCCCC=CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-tetradecenoylcarnitine  having 2-tetradecenoyl as the acyl substituent. It has the role of human metabolite. It is also related to or classified as O-tetradecenoylcarnitine .
The molecule <smiles>FC(F)(F)c1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1</smiles> is A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-(trifluoromethyl)benzoic acid with the amino group of 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethylamine. A fungicide used for foiliar application and as a seed treatment in order to control botrystis, powdery mildew and other diseases. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It has the role of antifungal agrochemical.   It is also related to or classified as organochlorine compound . It is also related to or classified as benzamides, pyridines, (trifluoromethyl)benzenes, benzamide fungicide.
The molecule <smiles>O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])O</smiles> is A lysophosphatidylcholine 20:2 in which the acyl group is specified as (11Z,14Z)-icosadienoyl and is located at position 1. Its functional parent is (11Z,14Z)-icosadienoic acid. It is also related to or classified as lysophosphatidylcholine 20:2 .
The molecule <smiles>CCCCC\C=C/C=C\CCCCCCCCC([O-])=O</smiles> is an octadecadienoate that is the conjugate base of dihomolinoleic acid. It has the role of plant metabolite. It has the role of human metabolite. It is also related to or classified as octadecadienoate .
The molecule <smiles>CCCCC\C=C/C=C\CCCCCCCCC(O)=O</smiles> is A octadecadienoic acid with unsaturation at positions 10 and 12 (the 10Z,12Z-stereoisomer). It has the role of plant metabolite. It has the role of human metabolite. It is a conjugate acid of dihomolinoleate. It is also related to or classified as octadecadienoic acid.
The molecule <smiles>NC(=O)CC[C@@H]1NCC2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> is A spiroketal and delta-lactone resulting from the formal condensation of the carboxy group of L-glutamine with the anomeric hydroxy group of D-fructose and substitution of the 1-hydroxy group of the fructose by the alpha-amino group of the glutamine. It is found in crown gall tumours induced in chrysanthemums by Agrobacterium tumefaciens. It has the role of plant metabolite. Its functional parent is L-glutamine. Its functional parent is D-fructopyranose. It is also related to or classified as delta-lactone .  It is also related to or classified as carboxamide . It is also related to or classified as triol, secondary amino compound, spiroketal, amino acid opine.
The molecule <smiles>NC(=O)CC[C@@H]1NC[C@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> is A chrysopine formally derived from beta-D-fructopyranose. It is also related to or classified as chrysopine .
The molecule <smiles>NC(=O)CC[C@@H]1NC[C@@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> is A chrysopine formally derived from alpha-D-fructopyranose. It is also related to or classified as chrysopine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCC(O)=O</smiles> is the (Z)-stereoisomer of  10-nonadecenoic acid. It is also related to or classified as 10-nonadecenoic acid .
The molecule <smiles>CC(=O)S[C@@H](CCS)CCCCC(N)=O</smiles> is the (R)-enantiomer of S(6)-acetyldihydrolipoamide. Its functional parent is (R)-dihydrolipoamide. It is also related to or classified as S(6)-acetyldihydrolipoamide .
The molecule <smiles>CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O</smiles> is A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus. It is also related to or classified as polymyxin.
The molecule <smiles>Cn1cc(C(=O)Nc2cccc3C4CCC(C4=C(Cl)Cl)c23)c(n1)C(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-amine.   It is also related to or classified as organochlorine compound . It is also related to or classified as organofluorine compound . It is also related to or classified as pyrazoles, bridged compound, aromatic amide, olefinic compound.
The molecule <smiles>Nc1cccc2[C@H]3CC[C@H](C3=C(Cl)Cl)c12</smiles> is an N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide that is the (1R,4S)-enantiomer of benzovindiflupyr. It is also related to or classified as N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide .
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O</smiles> is A lipoyl-AMP in which the lipoyl moiety has (R)-configuration. Its functional parent is (R)-lipoic acid. It is a conjugate acid of (R)-lipoyl-AMP(1-). It is also related to or classified as lipoyl-AMP .
The molecule <smiles>Cn1cc(C(=O)Nc2cccc3[C@@H]4CC[C@@H](C4=C(Cl)Cl)c23)c(n1)C(F)F</smiles> is an N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide that is the (1S,4R)-enantiomer of benzovindiflupyr. It is also related to or classified as N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide .
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O</smiles> is A lipoyl-AMP(1-) obtained by deprotonation of the phosphate OH group of (R)-lipoyl-AMP; major species at pH 7.3. It is also related to or classified as lipoyl-AMP(1-) .
The molecule <smiles>C(CN(C(/C=C(/CCO)\C)=O)[O-])C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N([O-])CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)[O-])(NC1=O)[H])=O)[H])NC(C)=O.[Fe+3]</smiles> is an iron(III) hydroxamate isolated from fungi and bacteria including Penicillium species and Neurospora crassa. It is a growth factor for coprophilous fungi. It has the role of Penicillium metabolite. It is also related to or classified as homoallylic alcohol . It is also related to or classified as Fe(III)-complexed hydroxamate siderophore.
The molecule <smiles>NC(=O)CCCC[C@@H]1CCSS1</smiles> is A lipoamide obtained by condensation of the carboxy group of (R)-lipoic acid with ammonia. Its functional parent is (R)-lipoic acid. It is also related to or classified as lipoamide .
The molecule <smiles>Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(n1)C(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 3',4',5'-trifluorobiphenyl-2-amine. Used to control a number of cereal fungal pathogens including those belonging to the Ascomycetes, Basidiomycetes and Zygomycetes families. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It has the role of antifungal agrochemical. It is also related to or classified as biphenyls, pyrazoles, aromatic amide, trifluorobenzene, anilide fungicide.
The molecule <smiles>CC(=O)N[C@@H](CCCN([O-])C(=O)\C=C(/C)CCO)C(=O)OCC\C(C)=C\C(=O)N([O-])CCC[C@@H]1NC(=O)[C@H](CCCN([O-])C(=O)\C=C(/C)CCO)NC1=O</smiles> is A hydroxamic acid anion resulting from the removal of a proton from each of the three hydroxamic acid groups of desferricoprogen. It has the role of siderophore. It is also related to or classified as hydroxamic acid anion.
The molecule <smiles>CC(=O)N[C@@H](CCCN(O)C(=O)\C=C(/C)CCO)C(=O)OCC\C(C)=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)\C=C(/C)CCO)NC1=O</smiles> is A member of the class of 2,5-diketopiperazines that is 2,5-diketopiperazine which is substituted at positions 3 and 6 by 3-(hydroxyamino)propyl groups in which the nitrogens have been acylated by (2E)-5-hydroxy-3-methylpent-2-enoyl groups. The substituent at position 3 has been further modified by having its terminal hydroxy group esterified by condensation with the carboxy group of N(2)-acetyl-N(5)-hydroxy-L-ornithine in which the N(5) nitrogen has been acylated by a (2E)-5-hydroxy-3-methylpent-2-enoyl group. It has the role of siderophore. It is a conjugate acid of desferricoprogen(3-). It is also related to or classified as homoallylic alcohol . It is also related to or classified as primary alcohol .   It is also related to or classified as carboxylic ester . It is also related to or classified as 2,5-diketopiperazines . It is also related to or classified as acetamides, hydroxamic acid.
The molecule <smiles>CC(C)[C@@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is A 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the anti-(1S,4R,9R)-diastereomer of isopyrazam. It is also related to or classified as 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide .
The molecule <smiles>CC(C)CCCC(C)COS(O)(=O)=O</smiles> is an alkyl sulfate that is the sulfuric ester of  2,6-dimethylheptan-1-ol. It has the role of kairomone. It has the role of Daphnia pulex metabolite. Its functional parent is 2,6-dimethylheptan-1-ol. It is a conjugate acid of 2,6-dimethylheptyl sulfate. It is also related to or classified as alkyl sulfate.
The molecule <smiles>C([C@H]1NC(CC1)=O)(=O)NCC(O)=O</smiles> is A dipeptide composed of  glycine  and  5-oxo-L-proline joined by a peptide linkage. Its functional parent is glycine. Its functional parent is 5-oxo-L-proline. It is also related to or classified as dipeptide .
The molecule <smiles>Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c(n1)C(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 3',4'-dichloro-5-fluorobiphenyl-2-amine. A fungicide for use in cereals for key stem and leaf disease control including strobilurin-resistant septoria. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It has the role of antifungal agrochemical.  It is also related to or classified as dichlorobenzene .  It is also related to or classified as organofluorine compound . It is also related to or classified as biphenyls, pyrazoles, aromatic amide, anilide fungicide.
The molecule <smiles>CC1OC(C)(C)c2cccc(NC(=O)c3c(C)nn(C)c3Cl)c12</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 5-chloro-1,3-dimethylpyrazole-4-carboxylic acid with the amino group of 1,1,3-trimethyl-1,3-dihydro-2-benzofuran-4-amine.  It is also related to or classified as organochlorine compound . It is also related to or classified as pyrazoles, 1-benzofurans, aromatic amide.
The molecule <smiles>C[C@H](CCC[C@H](C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C</smiles> is A member of the class of dafachronic acids that is (25S)-5alpha-cholestan-26-oic acid which is substituted at position 3 by an oxo group and which contains double bonds at the 1-2 and 7-8 positions. Found in Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. It is also related to or classified as 3-oxo-Delta(1) steroid . It is also related to or classified as 3-oxo Delta(7)-steroid, dafachronic acids.
The molecule <smiles>CC(C)CC(C)c1ccccc1NC(=O)c1c(C)nn(C)c1F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)aniline.  It is also related to or classified as organofluorine compound . It is also related to or classified as pyrazoles, aromatic amide.
The molecule <smiles>CC(C)[C@@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is A 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the syn-(1R,4S,9R)-diastereomer of isopyrazam. It is also related to or classified as 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide .
The molecule <smiles>C[C@H](CCC[C@H](C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A steroid acid that is 5alpha-cholest-7-en-26-oic acid that has S configuration at position 25 and is substituted by a hydroxy group at the 3alpha position. It is an endogenous ligand for DAF-12 in Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite.  It is also related to or classified as 3alpha-hydroxy steroid . It is also related to or classified as monocarboxylic acid, steroid acid, cholestanoid.
The molecule <smiles>CC(C)[C@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is A 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the syn-(1S,4R,9S)-diastereomer of isopyrazam. It is also related to or classified as 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide .
The molecule <smiles>CC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F</smiles> is 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide that is the (S)-enantiomer of penflufen. It is also related to or classified as 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide .
The molecule <smiles>CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)thiophen-3-amine.   It is also related to or classified as organofluorine compound . It is also related to or classified as pyrazoles, thiophenes, aromatic amide.
The molecule <smiles>CC[C@H](C)CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](NC1=O)[C@@H](C)CC)C(C)C)=C\C)C(C)C</smiles> is A synthetic cyclodepsipeptide derived from a marine metabolite that exhibits antineoplastic properties. It has the role of antineoplastic agent. It is also related to or classified as cyclodepsipeptide .
The molecule <smiles>CC(C)[C@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is A 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the anti-(1R,4S,9S)-diastereomer of isopyrazam. It is also related to or classified as 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide .
The molecule <smiles>OP(O)(=O)O[C@H]1[C@@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(=O)OP(O)(O)=O</smiles> is A 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 1 and 4. It is also related to or classified as 1D-myo-inositol bis(diphosphate) tetrakisphosphate.