anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H](O)[C@@H]2O C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H](O)[C@@H]2O 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 CCCCCCCCC=CCCCCCCCCC(O)=O CCCCCCCCC=CCCCCCCCCC(O)=O 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 CCCCCCCCCCCC=CC(=O)OC(CC([O-])=O)C[N+](C)(C)C CCCCCCCCCCCC=CC(=O)OC(CC([O-])=O)C[N+](C)(C)C 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 FC(F)(F)c1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1 FC(F)(F)c1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1 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 O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])O O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])O 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 CCCCC\C=C/C=C\CCCCCCCCC([O-])=O CCCCC\C=C/C=C\CCCCCCCCC([O-])=O 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 CCCCC\C=C/C=C\CCCCCCCCC(O)=O CCCCC\C=C/C=C\CCCCCCCCC(O)=O 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 NC(=O)CC[C@@H]1NCC2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O NC(=O)CC[C@@H]1NCC2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O 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 NC(=O)CC[C@@H]1NC[C@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O NC(=O)CC[C@@H]1NC[C@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O is A chrysopine formally derived from beta-D-fructopyranose. It is also related to or classified as chrysopine  .
The molecule NC(=O)CC[C@@H]1NC[C@@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O NC(=O)CC[C@@H]1NC[C@@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O is A chrysopine formally derived from alpha-D-fructopyranose. It is also related to or classified as chrysopine  .
The molecule CCCCCCCC\C=C/CCCCCCCCC(O)=O CCCCCCCC\C=C/CCCCCCCCC(O)=O is the (Z)-stereoisomer of  10-nonadecenoic acid. It is also related to or classified as 10-nonadecenoic acid  .
The molecule CC(=O)S[C@@H](CCS)CCCCC(N)=O CC(=O)S[C@@H](CCS)CCCCC(N)=O 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 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 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 is A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus. It is also related to or classified as polymyxin .
The molecule Cn1cc(C(=O)Nc2cccc3C4CCC(C4=C(Cl)Cl)c23)c(n1)C(F)F Cn1cc(C(=O)Nc2cccc3C4CCC(C4=C(Cl)Cl)c23)c(n1)C(F)F 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 Nc1cccc2[C@H]3CC[C@H](C3=C(Cl)Cl)c12 Nc1cccc2[C@H]3CC[C@H](C3=C(Cl)Cl)c12 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 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O 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 Cn1cc(C(=O)Nc2cccc3[C@@H]4CC[C@@H](C4=C(Cl)Cl)c23)c(n1)C(F)F Cn1cc(C(=O)Nc2cccc3[C@@H]4CC[C@@H](C4=C(Cl)Cl)c23)c(n1)C(F)F 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 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O 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 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] 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] 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 NC(=O)CCCC[C@@H]1CCSS1 NC(=O)CCCC[C@@H]1CCSS1 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 Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(n1)C(F)F Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(n1)C(F)F 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 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 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 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 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 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 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 CC(C)[C@@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F CC(C)[C@@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F 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 CC(C)CCCC(C)COS(O)(=O)=O CC(C)CCCC(C)COS(O)(=O)=O 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 C([C@H]1NC(CC1)=O)(=O)NCC(O)=O C([C@H]1NC(CC1)=O)(=O)NCC(O)=O 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 Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c(n1)C(F)F Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c(n1)C(F)F 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 CC1OC(C)(C)c2cccc(NC(=O)c3c(C)nn(C)c3Cl)c12 CC1OC(C)(C)c2cccc(NC(=O)c3c(C)nn(C)c3Cl)c12 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 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 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 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 CC(C)CC(C)c1ccccc1NC(=O)c1c(C)nn(C)c1F CC(C)CC(C)c1ccccc1NC(=O)c1c(C)nn(C)c1F 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 CC(C)[C@@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F CC(C)[C@@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F 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 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 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 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 CC(C)[C@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F CC(C)[C@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F 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 CC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F CC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F 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 CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 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 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 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 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 CC(C)[C@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F CC(C)[C@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F 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 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 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 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 .
The molecule Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1 Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1 is A member of the class of pyridines that is (pyridin-2-yl)acrylic acid substituted at position 6 by a [(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl group. It is a non-sedating antihistamine used for treatment of hayfever, urticaria, and rhinitis. It has the role of H1-receptor antagonist . It is also related to or classified as pyridines , N-alkylpyrrolidine , olefinic compound , alpha,beta-unsaturated monocarboxylic acid .
The molecule CC(C)C1C2CCC1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F CC(C)C1C2CCC1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F 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-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-amine.   It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , bridged compound , aromatic amide .
The molecule Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@H]2C2CC2)c(n1)C(F)F Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@H]2C2CC2)c(n1)C(F)F is an N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the cis-(1R,2R)-diastereomer of sedaxane. It is also related to or classified as N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide  .
The molecule Cn1cc(C(=O)Nc2ccccc2C2CC2C2CC2)c(n1)C(F)F Cn1cc(C(=O)Nc2ccccc2C2CC2C2CC2)c(n1)C(F)F 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 2-[1,1'-bi(cyclopropyl)-2-yl]aniline.   It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , ring assembly , cyclopropanes , aromatic amide .
The molecule Cc1c(C)c2ccc[n+]3c2c2[n+](cccc12)[Pt--]31[NH2+][C@H]2CCCC[C@@H]2[NH2+]1 Cc1c(C)c2ccc[n+]3c2c2[n+](cccc12)[Pt--]31[NH2+][C@H]2CCCC[C@@H]2[NH2+]1 is A platinum coordination entity consisting of 5,6-dimethyl-1,10-phenanthroline and 1S,2S-diaminocyclohexane moieties bound via their nitrogen atoms to a central platinum atom. It has the role of antineoplastic agent . It is also related to or classified as organic cation , platinum coordination entity .
The molecule CC(C)C[C@@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F CC(C)C[C@@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F is 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide that is the (R)-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 CCCCc1c(C)c2ccc(OCc3ccccc3\C(=C/OC)C(=O)OC)cc2oc1=O CCCCc1c(C)c2ccc(OCc3ccccc3\C(=C/OC)C(=O)OC)cc2oc1=O is A member of the class of coumarins that is the methyl ester of (2E)-2-(2-{[(3-butyl-4-methyl-2-oxochromen-7-yl)oxy]methyl}phenyl)-3-methoxyprop-2-enoic acid. A fungicide active against various fungal infections including downy mildew, blight, powdery mildew and rice blast. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical .   It is also related to or classified as enol ether  .  It is also related to or classified as methyl ester  . It is also related to or classified as enoate ester  . It is also related to or classified as coumarins , aromatic ether , methoxyacrylate strobilurin antifungal agent .
The molecule Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@H]2C2CC2)c(n1)C(F)F Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@H]2C2CC2)c(n1)C(F)F is an N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the cis-(1S,2S)-diastereomer of sedaxane. It is also related to or classified as N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide  .
The molecule Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(n1)C(F)F Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(n1)C(F)F is an N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the trans-(1S,2R)-diastereomer of sedaxane. It is also related to or classified as N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide  .
The molecule CC(=O)N([O-])CCC[C@H](N)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=O)n(C)c1=O)C(O)=O CC(=O)N([O-])CCC[C@H](N)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=O)n(C)c1=O)C(O)=O is A hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin delta1. It is also related to or classified as hydroxamic acid anion .
The molecule CO\C=C(\C(=O)OC)c1ccccc1CO\N=C(/C)\C=C\c1ccc(Cl)cc1 CO\C=C(\C(=O)OC)c1ccccc1CO\N=C(/C)\C=C\c1ccc(Cl)cc1 is an enoate ester that is the methyl ester of (2E)-2-{2-[({(E)-[(3E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}-3-methoxyprop-2-enoic acid. A fungicide used for control of leaf blotch, leaf rust and powdery mildew on wheat and other fungal diseases on cucumbers, tomatoes and grapes. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as oxime O-ether  . It is also related to or classified as enol ether  .   It is also related to or classified as methyl ester  . It is also related to or classified as enoate ester  . It is also related to or classified as monochlorobenzenes , methoxyacrylate strobilurin antifungal agent .
The molecule CCSCC[C@H](NC(=O)[C@H](C)N)C(O)=O CCSCC[C@H](NC(=O)[C@H](C)N)C(O)=O is A dipeptide formed from L-alanyl and L-ethionine residues. It has the role of poison . It is also related to or classified as dipeptide  .