anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=[As]c1ccccc1 O=[As]c1ccccc1 is an arsine oxide derived from phenylarsine. It has the role of EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as arsine oxides .
The molecule [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C is tetracycline in which a hydrogen attached to the amide nitrogen is substituted by a 4-[(2-hydroxyethyl)piperazin-1-yl]methyl group. It has the role of antimicrobial agent . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as tetracyclines , N-alkylpiperazine .
The molecule OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 is A piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group. It has the role of antiparkinson drug . It has the role of muscle relaxant .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as piperidines .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A conjugate base of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol). It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)  .
The molecule O=C1CCc2c(O1)ccc1ccccc21 O=C1CCc2c(O1)ccc1ccccc21 is A benzochromenone that is 2,3-dihydro-1H-benzo[f]chromene substituted by an oxo group at position 3. It has been found to exhibit potential inhibitory activity against Sir2 proteins. It has the role of platelet aggregation inhibitor . It has the role of Sir2 inhibitor .  It is also related to or classified as delta-lactone  . It is also related to or classified as naphtho-alpha-pyrone , benzochromenone .
The molecule Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 is an organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-amino-2-methylpyrimidin-5-ylmethyl] group. An antineoplastic agent especially effective against malignant brain tumors. It has the role of alkylating agent . It has the role of antineoplastic agent . It is also related to or classified as organochlorine compound  . It is also related to or classified as aminopyrimidine , N-nitrosoureas .
The molecule [H+].[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C [H+].[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C is an organic cation that is the conjugate acid of pipacycline. It is a conjugate acid of pipacycline . It is also related to or classified as organic cation .
The molecule C1=[NH+]C(=NC(=C1CNC(=O)N(N=O)CCCl)N)C C1=[NH+]C(=NC(=C1CNC(=O)N(N=O)CCCl)N)C is an organic cation that is the conjugate acid of nimustine. It is a conjugate acid of nimustine . It is also related to or classified as organic cation .
The molecule CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O is an organosulfate oxoanion that is the conjugate base of tetradecyl sulfonic acid, obtained by deprotonation of the O-sulfo group. It is also related to or classified as organosulfate oxoanion  .
The molecule [H][C@]12COC(=O)[C@@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O [H][C@]12COC(=O)[C@@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O is an organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. It has the role of antineoplastic agent . It has the role of tyrosine kinase inhibitor . It has the role of insulin-like growth factor receptor 1 antagonist . It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as furonaphthodioxole  . It is also related to or classified as organic heterotetracyclic compound .
The molecule CCCCC(CC)CCC(CC(C)C)OS(O)(=O)=O CCCCC(CC)CCC(CC(C)C)OS(O)(=O)=O is an alkyl sulfate that is the mono-7-ethyl-2-methylundecan-4-yl ester of sulfuric acid. It is a conjugate acid of tetradecyl sulfate . It is also related to or classified as alkyl sulfate .
The molecule [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC is an organic chloride salt having methyltrioctylammonium as the cation. It has the role of phase-transfer catalyst . It is also related to or classified as quaternary ammonium salt , organic chloride salt .
The molecule [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O is an organic sodium salt having tetradecyl sulfate as the counterion. Used in the treatment of small uncomplicated varicose veins of the lower extremities that show simple dilation with competent valves. It has the role of detergent . It has the role of sclerotherapy agent . It is also related to or classified as organic sodium salt .
The molecule C[C@H](Oc1ccc(Cl)cc1C)C([O-])=O C[C@H](Oc1ccc(Cl)cc1C)C([O-])=O is A monocarboxylic acid anion that is the conjugate base of (S)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@@H](Oc1ccc(Cl)cc1C)C([O-])=O C[C@@H](Oc1ccc(Cl)cc1C)C([O-])=O is A monocarboxylic acid anion that is the conjugate base of (R)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule S(O)(O)(=O)=O.[C@@H]1([C@@H](C[C@H](N)[C@H]([C@@H]1O)O[C@H]2OC(=CC[C@H]2N)CN)NCC)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]2OC(=CC[C@H]2N)CN)N)NCC)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O S(O)(O)(=O)=O.[C@@H]1([C@@H](C[C@H](N)[C@H]([C@@H]1O)O[C@H]2OC(=CC[C@H]2N)CN)NCC)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]2OC(=CC[C@H]2N)CN)N)NCC)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O is netilmicin sulfate. Its functional parent is netilmycin . It is also related to or classified as aminoglycoside sulfate salt .
The molecule CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C is A phospholipid that is the hexadecyl monoester of phosphocholine. It has the role of anticoronaviral agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of antiprotozoal drug . It has the role of protein kinase inhibitor . It has the role of immunomodulator . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It is also related to or classified as phospholipid  . It is also related to or classified as phosphocholines .
The molecule CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC is A  2-acyl-1-alkyl-sn-glycero-3-phosphocholine betaine where the alkyl and the acyl groups at position 1 and 2 are octadecyl and palmitoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is 1-O-octadecyl-sn-glycero-3-phosphocholine . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  .
The molecule OC(=O)CC[C@H](N1C(=O)c2ccccc2C1=O)C(O)=O OC(=O)CC[C@H](N1C(=O)c2ccccc2C1=O)C(O)=O is A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group. Its functional parent is phthalimide . It is also related to or classified as phthalimides  . It is also related to or classified as L-glutamic acid derivative .
The molecule CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O is netilmycin. Its functional parent is streptamine .   It is also related to or classified as beta-L-arabinoside  . It is also related to or classified as amino cyclitol glycoside , aminoglycoside antibiotic , monosaccharide derivative .
The molecule C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC is A phosphatidylcholine 36:0 where the acyl substituents at positions 1 and 2 are icosanoyl and palmitoyl respectively. Its functional parent is icosanoic acid . Its functional parent is 1-icosanoyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine 36:0  . It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC is A phosphatidylcholine 26:0 in which the two acyl substituents at positions 1 and 2 are palmitoyl and decanoyl respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine 26:0  . It is also related to or classified as decanoate ester  .
The molecule OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O is A disaccharide consisting alpha-D-galactosyl and D-gluconic acid residues joined by a (1->6)-linkage. Its functional parent is melibiose .  It is also related to or classified as disaccharide  . It is also related to or classified as carbohydrate acid .
The molecule C[C@@H](Oc1ccc(Cl)cc1Cl)C([O-])=O C[C@@H](Oc1ccc(Cl)cc1Cl)C([O-])=O is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (R)-dichlorprop. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] [H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] is an androstanoid that is  testosterone with an oxo group at position 19. It has the role of androgen . Its functional parent is testosterone .  It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo steroid  . It is also related to or classified as steroid aldehyde , androstanoid .
The molecule CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O is A member of the class of  acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits  anti-asthmatic activity. It has the role of leukotriene antagonist . It has the role of anti-asthmatic drug .  It is also related to or classified as phenols  . It is also related to or classified as acetophenones , aromatic ether , tetrazoles .
The molecule [H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](O)CO [H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](O)CO is A branched amino hexasaccharide corresponding to the core oligosaccharide of the Gram negative bacterium Francisella tularensis. It is also related to or classified as amino hexasaccharide .
The molecule CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC is A quaternary ammonium ion with three octyl groups and one methyl group attached to the nitrogen. It is also related to or classified as quaternary ammonium ion  .
The molecule O=c1[nH]c2ccccc2c2ccccc12 O=c1[nH]c2ccccc2c2ccccc12 is A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity. It has the role of mutagen . It has the role of immunosuppressive agent . It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It is also related to or classified as lactam  . It is also related to or classified as phenanthridines .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC is A phosphatidylcholine 30:0 in which the phosphatidyl acyl groups at positions 1 and 2 are palmitoyl (hexadecanoyl) and myristoyl (tetradecanoyl) respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine 30:0  . It is also related to or classified as tetradecanoate ester  .
The molecule N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H]1O N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H]1O is an amino disaccharide consisting of alpha- and beta-D-kanosaminyl residues joined by a (1<->1)-linkage. It has the role of metabolite . It has the role of antimicrobial agent . It is also related to or classified as amino disaccharide , glycosyl glycoside derivative .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC is A 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are palmitoyl and hexanoyl respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  . It is also related to or classified as hexanoate ester  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC is A  phosphatidylcholine 24:0 where the acyl groups at position 1 and 2 are palmitoyl and capryloyl respectively. Its functional parent is hexadecanoic acid . It is also related to or classified as phosphatidylcholine 24:0  . It is also related to or classified as octanoate ester  .
The molecule [H]C(=O)C(\Cl)=C/C=C(/N)C(O)=O [H]C(=O)C(\Cl)=C/C=C(/N)C(O)=O is A muconic semialdehyde having amino and chloro substituents at positions 2 and 5 respectively. It has the role of metabolite . It is also related to or classified as organochlorine compound  . It is also related to or classified as muconic semialdehyde , alpha,beta-unsaturated monocarboxylic acid , non-proteinogenic alpha-amino acid .
The molecule CCCCC\C=C/C\C=C/C=C/C(=O)C\C=C/CCCC([O-])=O CCCCC\C=C/C\C=C/C=C/C(=O)C\C=C/CCCC([O-])=O is an unsaturated fatty acid anion that is the conjugate base of 8-KETE, 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 oxo-ETE anion , oxo fatty acid anion , polyunsaturated fatty acid anion .
The molecule c1ccc2[nH]nnc2c1 c1ccc2[nH]nnc2c1 is the simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as benzotriazoles .
The molecule C[C@H](Oc1ccc(Cl)cc1Cl)C([O-])=O C[C@H](Oc1ccc(Cl)cc1Cl)C([O-])=O is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (S)-dichlorprop. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CCCCCCCCCCCCCCCCCCC(=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 CCCCCCCCCCCCCCCCCCC(=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 A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentadecanoic acid. Its functional parent is nonadecanoic acid . It is a conjugate acid of nonadecanoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .
The molecule Clc1ccc(c(Cl)c1)C(=O)n1cnc2ccccc12 Clc1ccc(c(Cl)c1)C(=O)n1cnc2ccccc12 is A member of the class of  benzamides obtained by the formal condensation of 1H-benzimidazole and  2,4-dichlorobenzoic acid. Its functional parent is 2,4-dichlorobenzoic acid . Its functional parent is 1H-benzimidazole .   It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , benzimidazoles .
The molecule Clc1ccc(c(Cl)c1)C(=O)n1nnc2ccccc12 Clc1ccc(c(Cl)c1)C(=O)n1nnc2ccccc12 is A member of the class of  benzamides that is obtained by the formal condensation of  2,4-dichlorobenzoic acid and  benzotriazole. It acts as an inhibitor for tubulin acetylation mediated by trichostatin A. It has the role of inhibitor . Its functional parent is 2,4-dichlorobenzoic acid . Its functional parent is benzotriazole .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , benzotriazoles .
The molecule CCCCC\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1C\C=C/CCCC([O-])=O CCCCC\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1C\C=C/CCCC([O-])=O is an unsaturated fatty acid anion that is the conjugate base of (8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as epoxy(hydroxy)icosatrienoate .
The molecule CC1=C(CC(=O)OCCCCO[N+]([O-])=O)c2cc(F)ccc2C\1=C/c1ccc(cc1)S(C)=O CC1=C(CC(=O)OCCCCO[N+]([O-])=O)c2cc(F)ccc2C\1=C/c1ccc(cc1)S(C)=O is A carboxylic ester that is the 4-(nitrooxy)butyl ester of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. It has the role of non-steroidal anti-inflammatory drug . It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor . It has the role of antineoplastic agent . It has the role of prodrug . It has the role of apoptosis inducer . Its functional parent is sulindac . It is also related to or classified as sulfoxide  . It is also related to or classified as carboxylic ester  . It is also related to or classified as organofluorine compound  . It is also related to or classified as nitrate ester .
The molecule NCc1c(O)c(Cl)cc(Cl)c1Cl NCc1c(O)c(Cl)cc(Cl)c1Cl is A member of the class of  trichlorophenols that is phenol substituted by chloro groups at positions 3, 4 and 6 and an aminomethyl group at position 2. Its functional parent is benzylamine . It is also related to or classified as trichlorophenols , primary amino compound .
The molecule CCCCCCCC[C@H](O)\C=C\CCCCCCC([O-])=O CCCCCCCC[C@H](O)\C=C\CCCCCCC([O-])=O is an unsaturated fatty acid anion that is the conjugate base of (8E,10S)-10-hydroxy-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 unsaturated fatty acid anion , hydroxy fatty acid anion .
The molecule [O-][N+](=O)c1cc(ccc1Br)C(=O)Oc1ccc(OC(=O)c2ccc(Br)c(c2)[N+]([O-])=O)c(c1)C(=O)c1ccccc1 [O-][N+](=O)c1cc(ccc1Br)C(=O)Oc1ccc(OC(=O)c2ccc(Br)c(c2)[N+]([O-])=O)c(c1)C(=O)c1ccccc1 is A member of the class of  benzophenones that is benzophenone substituted by (4-bromo-3-nitrobenzoyl)oxy groups at positions 1 and 4.    It is also related to or classified as organobromine compound  . It is also related to or classified as benzophenones , C-nitro compound , benzoate ester .
The molecule [Na+].[O-]C(=O)CCCc1ccccc1 [Na+].[O-]C(=O)CCCc1ccccc1 is the organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. It has the role of geroprotector . It has the role of prodrug . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of neuroprotective agent . It has the role of orphan drug . It is also related to or classified as organic sodium salt .
The molecule [O-][N+](=O)c1ccc(cc1)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1CNC(=O)c1ccccc1 [O-][N+](=O)c1ccc(cc1)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1CNC(=O)c1ccccc1 is A member of the class of  benzamides obtained by the formal condensation of 2-(aminomethyl)-3,4,6-trichlorophenol and  benzoic acid. The carboxamide is further esterified at the phenolic hydroxy group by 4-nitrobenzoic acid. Its functional parent is 4-nitrobenzoic acid . Its functional parent is benzoic acid . Its functional parent is 2-(aminomethyl)-3,4,6-trichlorophenol .  It is also related to or classified as trichlorobenzene  . It is also related to or classified as benzamides , C-nitro compound , benzoate ester .
The molecule [O-][N+](=O)c1ccccc1NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1 [O-][N+](=O)c1ccccc1NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1 is A member of the class of  benzamides that is N-(2-nitrophenyl)benzamide substituted by a chloro group at position 2 and a piperidin-1-ylsulfonyl group at position 5.   It is also related to or classified as sulfonamide  . It is also related to or classified as benzamides , piperidines , C-nitro compound , monochlorobenzenes .
The molecule OC(=O)c1ccc(cc1NC(=O)c1ccccc1)[N+]([O-])=O OC(=O)c1ccc(cc1NC(=O)c1ccccc1)[N+]([O-])=O is A member of the class of  benzamides obtained by the formal condensation of the amino group of  4-nitroanthranilic acid with the carboxy group of benzoic acid. Its functional parent is benzoic acid . Its functional parent is 4-nitroanthranilic acid . It is also related to or classified as benzamides , nitrobenzoic acid .
The molecule CC(\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O CC(\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O is A  hydroxamic acid that is urea in which both the hydrogens attached to one of the nitrogens are replaced by a hydroxy and a (1E)-1-[3-(4-fluorophenoxy)phenyl]but-1-en-3-yl group. A selective inhibitor of arachidonate 5-lipoxygenase, it can be used for the treatment of asthma. It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as hydroxamic acid , aromatic ether , ureas .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[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]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A beta-D-galactosyl-(1->4)-beta-D-glucosylceramide where the ceramide N-acyl group is specified as hexacosanoyl. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is hexacosanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO is A 1-monoglyceride where the acyl group is oleoyl. It has the role of plant metabolite . Its functional parent is oleic acid . It is also related to or classified as 1-acylglycerol 18:1  . It is also related to or classified as monooleoylglycerol  .
The molecule CC\C=C/C\C=C/C[C@H](OO)\C=C\CCCCCCC([O-])=O CC\C=C/C\C=C/C[C@H](OO)\C=C\CCCCCCC([O-])=O is the monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid. It is also related to or classified as monocarboxylic acid anion  .