anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCC[C@H](OO)\C=C\CCCCCCC([O-])=O CCCCCCCC[C@H](OO)\C=C\CCCCCCC([O-])=O is an unsaturated fatty acid anion that is the conjugate base of (8E,10S)-10-hydroperoxy-8-octadecenoic acid, obtained by deprotonation of the carboxy group.   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyoctadecenoate , unsaturated fatty acid anion , hydroperoxy fatty acid anion .
The molecule COc1ccc(cc1)C(CC(=O)c1ccccc1)Nc1ccc(Br)cc1 COc1ccc(cc1)C(CC(=O)c1ccccc1)Nc1ccc(Br)cc1 is an aromatic ketone that is propiophenone substituted at position 3 by (4-bromophenyl)amino and 4-methoxyphenyl groups respectively.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether , secondary amino compound , aromatic ketone .
The molecule COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 is A glycosyloxyflavone that is tricin attached to a D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of metabolite . Its functional parent is 3',5'-di-O-methyltricetin .  It is also related to or classified as D-glucoside  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as dimethoxyflavone , dihydroxyflavone , monosaccharide derivative .
The molecule COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc(O)c4c(c3)oc(cc4=O)-c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc(O)c4c(c3)oc(cc4=O)-c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O is A glycosyloxyflavone that is tricin 7-O-glucoside with the hydroxy group on the glycosyl ring at position 6 replaced with a sinapoyl moiety. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is tricin 7-O-glucoside .  It is also related to or classified as D-glucoside  .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as dimethoxyflavone , cinnamate ester , dihydroxyflavone , monosaccharide derivative .
The molecule Nc1cc(ccc1C(O)=O)[N+]([O-])=O Nc1cc(ccc1C(O)=O)[N+]([O-])=O is an aminobenzoic acid that is anthranilic acid with a nitro substituent at position 4. It has the role of mutagen . Its functional parent is anthranilic acid . It is also related to or classified as aminobenzoic acid , nitrobenzoic acid .
The molecule Clc1ccc2nnc(-c3ccccc3)n2n1 Clc1ccc2nnc(-c3ccccc3)n2n1 is 6-chloro-3-phenyl[1,2,4]triazolo[4,3-b]pyridazine. It is also related to or classified as organochlorine compound  . It is also related to or classified as triazolopyridazine .
The molecule CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(OC)c1 CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(OC)c1 is A member of the class of  thioureas that is 3,4-dihydropyrimidine-2(1H)-thione substituted by a 3-methoxyphenyl group at position 4, a methyl group at position 6 and a ethoxycarbonyl group at position 5. It is also related to or classified as ethyl ester  . It is also related to or classified as aromatic ether , pyrimidinecarboxylate ester , thioureas .
The molecule CCCCCC\C=C/CCCCCCCCCC(=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 CCCCCC\C=C/CCCCCCCCCC(=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 is an octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-octadecenoic acid. Its functional parent is cis-vaccenic acid . It is a conjugate acid of (11Z)-octadecenoyl-CoA(4-) . It is also related to or classified as octadecenoyl-CoA  .
The molecule Brc1cc(Br)c(OC(=O)c2ccccc2C(=O)OCC#C)c(Br)c1 Brc1cc(Br)c(OC(=O)c2ccccc2C(=O)OCC#C)c(Br)c1 is A phthalate ester that is the mixed diester obtained by the formal condensation of carboxy groups of phthalic acid with hydroxy groups of 2,4,6-tribromophenol and prop-2-yn-1-ol respectively. Its functional parent is prop-2-yn-1-ol . Its functional parent is 2,4,6-tribromophenol .  It is also related to or classified as organobromine compound  . It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as phthalate ester .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A beta-D-glucosylceramide where the ceramide N-acyl group is specified as hexacosanoyl. It has the role of mouse metabolite . Its functional parent is hexacosanoic acid . It is also related to or classified as beta-D-glucosyl-N-acylsphingosine  .
The molecule CCCCCCCCCCC\C=C/CCCCC(=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 CCCCCCCCCCC\C=C/CCCCC(=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 is an octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6Z)-octadecenoic acid. Its functional parent is petroselinic acid . It is a conjugate acid of (6Z)-octadecenoyl-CoA(4-) . It is also related to or classified as octadecenoyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .
The molecule Brc1ccc(NC(=O)c2ccc(cc2)N2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(Br)cc2)cc1 Brc1ccc(NC(=O)c2ccc(cc2)N2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(Br)cc2)cc1 is A member of the class of  isoindoles that is 1H-isoindole-1,3(2H)-dione substituted at position 5 by a 4-bromoanilinocarbonyl group and at position 2 by a 4-[(4-bromophenyl)carbamoyl]phenyl group.   It is also related to or classified as organobromine compound  . It is also related to or classified as benzamides , isoindoles .
The molecule Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1nc2ccccc2o1 Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1nc2ccccc2o1 is A  sulfonamide that is 4-methylbenzenesulfonamide in which one of the hydrogens attached to nitrogen atom is replaced by a 2-(1,3-benzoxazol-2-yl)phenyl group. It is also related to or classified as sulfonamide  . It is also related to or classified as 1,3-benzoxazoles .
The molecule O=C(Nc1ccc(\C=C\C(=O)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 O=C(Nc1ccc(\C=C\C(=O)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 is A a monocarboxylic acid amide that is 2,2-diphenylacetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl group. It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as enone  . It is also related to or classified as aromatic ketone .
The molecule Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1 Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1 is an amino acid amide obtained by the formal condensation of 2,6-dimethylaniline with N-(3,5-dimethylphenyl)glycine. Its functional parent is 2,6-dimethylaniline . Its functional parent is glycinamide . Its functional parent is N-(3,5-dimethylphenyl)glycine . It is also related to or classified as amino acid amide , glycine derivative .
The molecule CCCCCC\C=C/CCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O CCCCCC\C=C/CCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O is A 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as (10Z)-heptadecenoyl. It is a conjugate acid of 1-(10Z)-heptadecenoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phospho-D-myo-inositol  .
The molecule CCCCCCCCCCC\C=C/CCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O CCCCCCCCCCC\C=C/CCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and (6Z)-octadecenoyl respectively. Its functional parent is oleic acid . Its functional parent is petroselinic acid . It is a conjugate acid of 1-oleoyl-2-(6Z)-octadecenoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .
The molecule COc1cc(\C=C\C(=O)OCC2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O COc1cc(\C=C\C(=O)OCC2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O is A C-glycosyl compound that is isovitexin with the hydroxy group at position 7 replaced with a glucopyranosyl entity which in turn is substituted at position 6 by a feruloyl moiety. It has the role of metabolite . Its functional parent is trans-ferulic acid . Its functional parent is isovitexin . It is also related to or classified as C-glycosyl compound , cinnamate ester , dihydroxyflavone .
The molecule CC(Oc1ccc(Cl)cc1Cl)C(O)=O CC(Oc1ccc(Cl)cc1Cl)C(O)=O is an aromatic ether that is 2-hydroxypropanoic acid in which the hydroxy group at position 2 has been converted to its 2,4-dichlorophenyl ether. It is also related to or classified as dichlorobenzene  . It is also related to or classified as monocarboxylic acid , aromatic ether .
The molecule NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 is A sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group.  It is also related to or classified as sulfonamide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as naphthalenes , primary amino compound .
The molecule CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cccc(c3)[N+]([O-])=O)ccc2o1 CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cccc(c3)[N+]([O-])=O)ccc2o1 is A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted at positions 2 and 5 by 4-ethylphenyl and 3-nitrobenzamido groups respectively. It is also related to or classified as benzamides , C-nitro compound , 1,3-benzoxazoles .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCC\C=C/CCCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCC\C=C/CCCCCC is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and (11Z)-octadecenoyl respectively. Its functional parent is oleic acid . Its functional parent is cis-vaccenic acid . It is a conjugate acid of 1-oleoyl-2-(11Z)-octadecenoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as phosphatidic acid 36:2  . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .
The molecule CCCCCC\C=C/CCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCC\C=C/CCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol in which the 1-acyl group is specified as (10Z)-heptadecenoyl. It is a conjugate acid of 1-(10Z)-heptadecenoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) . It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol  .
The molecule COc1ccc(\C=C\C(=O)OCC2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc1O COc1ccc(\C=C\C(=O)OCC2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc1O is A C-glycosyl compound that is isovitexin with the hydroxy group at position 7 replaced with a glucopyranosyl entity which in turn is substituted at position 6 by an isoferuloyl moiety. It has the role of metabolite . Its functional parent is isovitexin . Its functional parent is isoferulic acid . It is also related to or classified as C-glycosyl compound , cinnamate ester , dihydroxyflavone .
The molecule [NH3+]CCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 [NH3+]CCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 is an ammonium ion obtained by the protonation of the amino group of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide. It is a conjugate acid of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule Nc1ccc(cc1)C(c1ccc(N)cc1)=C1C=CC(=N)C=C1 Nc1ccc(cc1)C(c1ccc(N)cc1)=C1C=CC(=N)C=C1 is an imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-aminophenyl groups. The hydrochloride salt is the histological dye 'pararosaniline'. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as imine  . It is also related to or classified as substituted aniline .
The molecule Cl.NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 Cl.NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 is A hydrochloride salt prepared from equimolar amounts of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide and hydrogen chloride. It is also related to or classified as hydrochloride .
The molecule NC(=N)NC(=N)Nc1ccccc1 NC(=N)NC(=N)Nc1ccccc1 is A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group. It has the role of central nervous system drug . Its functional parent is biguanide . It is also related to or classified as guanidines .
The molecule Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 is A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II. It has the role of inhibitor . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as pyrroloquinoline  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as cyclic ketone .
The molecule C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=O C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=O is the S- (inactive) enantiomer of dichlorprop. It is a conjugate acid of (S)-dichlorprop(1-) . It is also related to or classified as 2-(2,4-dichlorophenoxy)propanoic acid  .
The molecule O=C(C=1[C@@H](C=2C=C(C=CC2)O)NC(NC1C)=S)OCC O=C(C=1[C@@H](C=2C=C(C=CC2)O)NC(NC1C)=S)OCC is an ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has R configuration. It is also related to or classified as ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate  .
The molecule COc1cc(\C=C\C(=O)O[C@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)[C@H](O)[C@H]2O)cc(OC)c1O COc1cc(\C=C\C(=O)O[C@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)[C@H](O)[C@H]2O)cc(OC)c1O is A disaccharide derivative that is isovitexin attached to a 4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-alpha-L-arabinopyranosyl residue at position 2 via a glycosidic linkage. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is isovitexin . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , cinnamate ester , disaccharide derivative .
The molecule Cc1ccc2N=C3N(CC[C@]3(O)C(=O)c2c1)c1ccccc1 Cc1ccc2N=C3N(CC[C@]3(O)C(=O)c2c1)c1ccccc1 is the (R)-enantiomer of blebbistatin. It is also related to or classified as blebbistatin  . It is also related to or classified as tertiary alpha-hydroxy ketone  .
The molecule CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1 CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1 is an ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has S configuration. It is also related to or classified as ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate  .
The molecule Cc1cc(C)cc(NCC(O)=O)c1 Cc1cc(C)cc(NCC(O)=O)c1 is A glycine derivative whose structure comprises a glycine core carrying a N-(3,5-dimethylphenyl) substituent. It is also related to or classified as glycine derivative , non-proteinogenic alpha-amino acid .
The molecule CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1 CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1 is A racemate comprising equimolar amounts of R- and S-monastrol. It has the role of antineoplastic agent . It has the role of EC 3.5.1.5 (urease) inhibitor . It has the role of antimitotic . It has the role of antileishmanial agent . It is also related to or classified as racemate .
The molecule C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O is the R- (active) enantiomer of dichlorprop. It is used as a herbicide for killing annual and broad leaf weeds. It has the role of synthetic auxin . It has the role of agrochemical . It has the role of phenoxy herbicide . It has the role of EC 1.11.1.6 (catalase) inhibitor . It is a conjugate acid of (R)-dichlorprop(1-) . It is also related to or classified as 2-(2,4-dichlorophenoxy)propanoic acid  .
The molecule Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccccc1 Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccccc1 is the (S)-enantiomer of blebbistatin. It is also related to or classified as blebbistatin  . It is also related to or classified as tertiary alpha-hydroxy ketone  .
The molecule C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 is A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as pyridines , primary amino compound .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC is A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl substituent is specified as lauroyl (dodecanoyl). It is a conjugate acid of 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-1D-myo-inositol(1-) . It is also related to or classified as 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol  . It is also related to or classified as dodecanoate ester  .
The molecule CC(=O)OCOC(c1ccc2ccccc2c1)P(=O)(OCOC(C)=O)OCOC(C)=O CC(=O)OCOC(c1ccc2ccccc2c1)P(=O)(OCOC(C)=O)OCOC(C)=O is an organic phosphonate that is the trisacetoxymethylester derivative of naphthalene substituted  hydroxymethylphosphonic acid. It has been found to inhibit insulin receptor tyrosine kinase activity and insulin stimulated glucose oxidation. It has the role of tyrosine kinase inhibitor . Its functional parent is hydroxymethylphosphonic acid .   It is also related to or classified as acetate ester  . It is also related to or classified as naphthalenes , organic phosphonate .
The molecule CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 is A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of  arachidonate 5-lipoxygenase. It has the role of antineoplastic agent . It has the role of leukotriene antagonist . It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor . It is also related to or classified as indoles , monocarboxylic acid , aryl sulfide , monochlorobenzenes .
The molecule COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@H](O)[C@H]3O)c(O)cc2o1 COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@H](O)[C@H]3O)c(O)cc2o1 is A trihydroxyflavone that is the 4'''-O-sinapoyl derivative of isoscoparin 2''-O-arabinoside. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is isoscoparin .  It is also related to or classified as monomethoxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , cinnamate ester , disaccharide derivative .
The molecule COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 is A trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by an alpha-L-arabinopyranosyl residue. It has the role of metabolite . Its functional parent is isoscoparin .  It is also related to or classified as monomethoxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , disaccharide derivative .
The molecule N\C(Sc1ccccc1)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1 N\C(Sc1ccccc1)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1 is A dinitrile that is succinonitrile in which the methylene hydrogens at positions 2 and 3 are substituted by amino(phenylsulfanyl)methylidene groups. It acts as an inhibitor of MEK (mitogen activated protein kinase kinase). It has the role of protein kinase inhibitor .  It is also related to or classified as enamine  . It is also related to or classified as dinitrile  . It is also related to or classified as aryl sulfide .
The molecule COC(=O)c1cc2cc(ccc2n1Cc1ccc(Cl)cc1)S(C)(=O)=O COC(=O)c1cc2cc(ccc2n1Cc1ccc(Cl)cc1)S(C)(=O)=O is an indolyl carboxylate ester that is methyl 1H-indole-2-carboxylate substituted by a 4-chlorobenzyl group at position 1 and a methylsulfonyl group at position 5. It acts as a selective inhibitor of cyclooxygenase 2. It has the role of cyclooxygenase 2 inhibitor . It is also related to or classified as methyl ester  . It is also related to or classified as sulfone  . It is also related to or classified as indolyl carboxylate ester , monochlorobenzenes .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@@H]1NC(C)=O CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@@H]1NC(C)=O is A linear amino trisaccharide consisting of a chain of  N-acetyl-beta-D-glucosamine,  N-acetyl-beta-D-galactosamine and alpha-D-mannose residues linked sequentially (1->3) and (1->4). It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino trisaccharide .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1CO CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1CO is an amino disaccharide comprised of N-acetyl-beta-D-glucosamine linked (1->4) to D-mannose. It is also related to or classified as acetamides , amino disaccharide , glucosamine oligosaccharide , glycosylmannose derivative .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which both acyl groups are specified as oleoyl. Its functional parent is oleic acid . It is a conjugate acid of 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)  .
The molecule Cc1nc(=O)c2cccc(O)c2[nH]1 Cc1nc(=O)c2cccc(O)c2[nH]1 is A member of the class of  quinazolines that is quinazolin-4(1H)-one substituted by a hydroxy group at position 8 and a methyl group at position 2. It has been shown to exhibit inhibitory activity against  poly(ADP-ribose) polymerase. It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It is also related to or classified as phenols  . It is also related to or classified as quinazolines .