anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCP(O)(O)=O)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCP(O)(O)=O)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 is A furofuran that consists of hydroxymethylphosphonic acid where the alcoholic OH group is carrying a ({4-[(2S,3R)-2-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl]phenyl group. Its functional parent is phosphonic acid .  It is also related to or classified as sulfonamide  . It is also related to or classified as carbamate ester , furofuran .
The molecule [H][C@]1(CCCNC1)C1=CC=C(C=C1)N1C=C2C=CC=C(C(N)=O)C2=N1 [H][C@]1(CCCNC1)C1=CC=C(C=C1)N1C=C2C=CC=C(C(N)=O)C2=N1 is A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy. It has the role of radiosensitizing agent . It has the role of antineoplastic agent . It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide  .
The molecule OC(=O)CC\C(=C\C(O)=O)C(O)=O OC(=O)CC\C(=C\C(O)=O)C(O)=O is but-1-ene-1,2,4-tricarboxylic acid. It is a conjugate acid of but-1-ene-1,2,4-tricarboxylate . It is also related to or classified as tricarboxylic acid .
The molecule CCCCC/C=C\\C[C@H]1[C@@H](O1)/C=C/C(C/C=C\\CCCC(=O)[O-])O is a hepoxilin anion that is the conjugate base of hepoxilin A3, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. It is a conjugate base of a hepoxilin A3.
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)O)NCC2([C@H]([C@@H]([C@H](O2)CO)O)O)O is an L-phenylalanine derivative in which one of the amino hydrogens of L-phenylalanine has been replaced by a 1-fructosyl group. It has a role as a Camellia sinensis metabolite. It is a L-phenylalanine derivative and a monosaccharide derivative. It derives from a D-fructofuranose.
The molecule CC1(C=CC2=CC3=C(C=C2O1)OC=C(C3=O)C4=CC(=C(C=C4)OC[C@H](C(C)(C)O)O)OC)C is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 3', a 2R,3-dihydroxy-3-methylbutoxyl group at position 4' and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity. It has a role as a metabolite, a plant metabolite and an antineoplastic agent.
The molecule Cn1cnc2[nH]c(=N)[nH]c(=O)c12 Cn1cnc2[nH]c(=N)[nH]c(=O)c12 is A 7-methylguanine that is 1,2,3,7-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 7. It is also related to or classified as 7-methylguanine  .
The molecule CCN(CC)C1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2OC CCN(CC)C1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2OC is 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule OC(=O)C=CC=CC=CC=CC=CCCCCCCCCCCCCC OC(=O)C=CC=CC=CC=CC=CCCCCCCCCCCCCC is Tetracosapentenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C is N-[(5R,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-methoxybenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl is an imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an inhibitor of calmodulin, a calcium binding messenger protein. It has a role as an inhibitor.
The molecule ClCBr ClCBr is A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom. It is also related to or classified as halomethane  .
The molecule CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a phosphatidylcholine 33:2 in which the 1- and 2-acyl groups are specified as pentadecanoyl and linoleoyl respectively. It derives from a pentadecanoic acid and a linoleic acid.
The molecule Cl[Zr](Cl)(Cl)Cl is a zirconium coordination entity comprising four chlorine atoms bound to a central zirconium atom. It has a role as a catalyst. It is a zirconium coordination entity and an inorganic chloride.
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O is an N-acyl-beta-D-galactosylsphingosine having a sulfo group at the 3-position on the galactose ring and (15Z)-tetracos-15-enoyl as the N-acyl group. It has a role as an epitope. It is a galactosylceramide sulfate and a N-acyl-beta-D-galactosylsphingosine. It is a conjugate acid of a 1-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1-).
The molecule CC(=O)N1C(=O)C(=O)c2ccccc12 CC(=O)N1C(=O)C(=O)c2ccccc12 is an indoledione consisting of isatin carrying an N-acetyl substituent. Its functional parent is isatin . It is also related to or classified as indoledione .
The molecule COc1cc(\C=C\C(=O)NCCc2ccc(O)cc2)ccc1O COc1cc(\C=C\C(=O)NCCc2ccc(O)cc2)ccc1O is N-feruloyltyramine. It has the role of metabolite . It is also related to or classified as tyramines .
The molecule O(P(OCC(COP(OC[C@@H](COC(CCCCCCCCCC=CCCCCCC)=O)OC(CCCCCCCCCC=CCCCCCC)=O)(O)=O)O)(O)=O)C[C@@H](COC(CCCCCCCCCC=CCCCCCC)=O)OC(CCCCCCCCCC=CCCCCCC)=O O(P(OCC(COP(OC[C@@H](COC(CCCCCCCCCC=CCCCCCC)=O)OC(CCCCCCCCCC=CCCCCCC)=O)(O)=O)O)(O)=O)C[C@@H](COC(CCCCCCCCCC=CCCCCCC)=O)OC(CCCCCCCCCC=CCCCCCC)=O is A cardiolipin in which all four of the phosphatidyl acyl groups are specified as octadec-11-enoyl. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as cardiolipin  .
The molecule O([C@H](CCNC)C1=CC=CC=C1)C2=C(C=C(O)C=C2)C O([C@H](CCNC)C1=CC=CC=C1)C2=C(C=C(O)C=C2)C is 4-Hydroxyatomoxetine. It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .
The molecule C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O is A ketoretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-oxoretinoic acid with beta-glucuronic acid. Its functional parent is all-trans-4-oxoretinoic acid . It is a conjugate acid of 1-O-(4-oxoretinoyl)-beta-D-glucuronate .  It is also related to or classified as enone  . It is also related to or classified as beta-D-glucosiduronic acid , ketoretinoic acid glucuronide .
The molecule CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6.Cl is the hydrochloride salt of conivaptan. It is an antagonist for two of the three types of arginine vasopressin (AVP) receptors, V1a and V2, and is used for the treatment of hyponatraemia (low blood sodium levels) caused by syndrome of inappropriate antidiuretic hormone (SIADH). It has a role as a vasopressin receptor antagonist. It contains a conivaptan.
The molecule C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N@@+]4(CCC5=CC(=C(C(=C5[C@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C.[Cl-].[Cl-] is the dichloride salt of (1R,2S,1'R,2'S)-doxacurium. It is a chloride salt, a quaternary ammonium salt and a diester. It is an enantiomer of a (1S,2R,1'S,2'R)-doxacurium chloride.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is an N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as caproyl (hexanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively; major species at pH 7.3. It is a conjugate base of a N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine.
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)OC C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)OC is N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COc1cc(\C=C\C(=O)NCC(O)=O)ccc1O COc1cc(\C=C\C(=O)NCC(O)=O)ccc1O is N-feruloylglycine. It is a conjugate acid of N-feruloylglycinate . It is also related to or classified as N-acylglycine  .
The molecule CC(C)=CCCC(C)=CCCC(C)=CC(O)=O CC(C)=CCCC(C)=CCCC(C)=CC(O)=O is A methyl-branched, trienoic fatty acid consisting of dodeca-2,6,10-trienoic acid having three methyl substituents at the 3-, 7- and 11-positions. It has the role of signalling molecule . Its functional parent is dodeca-2,6,10-trienoic acid . It is also related to or classified as methyl-branched fatty acid , trienoic fatty acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule C1C2(CN1CC3=CC=NC=C3)[C@H]([C@@H](N2CC4=CC=NC=C4)CO)C5=CC=CC=C5 C1C2(CN1CC3=CC=NC=C3)[C@H]([C@@H](N2CC4=CC=NC=C4)CO)C5=CC=CC=C5 is [(2R,3S)-3-phenyl-1,6-bis(pyridin-4-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(=O)NCCCCN CC(=O)NCCCCN is an N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine. It has the role of metabolite . It has the role of mouse metabolite . It is also related to or classified as N-substituted putrescine , N-monoacetylalkane-alpha,omega-diamine .
The molecule CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 is an N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group. It has a role as an antiemetic, a cholinergic antagonist, a central nervous system depressant, a local anaesthetic and a H1-receptor antagonist.
The molecule C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)=O)/C)/C C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)=O)/C)/C is A retinoid that is 5,6-epoxyretinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue. It has the role of rat metabolite . Its functional parent is 5,6-epoxyretinoic acid . It is a conjugate acid of 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronate .  It is also related to or classified as retinoid  . It is also related to or classified as epoxide  . It is also related to or classified as beta-D-glucosiduronic acid .
The molecule C1=CC=C2C(=C1)C(=CN2)C[C@@H]3C(=O)N[C@H](C(=O)N3)CC4=CNC5=CC=CC=C54 is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione substituted by 1H-indol-3-ylmethyl groups at positions 3 and 6 respectively. Isolated from Penicillium species, it exhibits antibacterial activity. It has a role as an antibacterial agent and a Penicillium metabolite. It is a member of 2,5-diketopiperazines and an indole alkaloid.
The molecule CC/C=C\\CC1=C([C@H](CC1=O)O)C is a beta-hydroxy ketone that is (ZZ,S)-cinerolone in which the (2Z)-but-2-en-1-yl substituent has been replaced by a (2Z)-pent-2-en-1-yl group. It is an alicyclic ketone, a beta-hydroxy ketone, an enone, a monoterpenoid and a secondary allylic alcohol.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H](OC([C@H]2O)O)CO)O)CO)O)O is an amino disaccharide comprised of N-acetyl-beta-D-glucosamine linked (1->3) to D-mannose. It has a role as an epitope. It is an amino disaccharide and a glucosamine oligosaccharide.
The molecule [NH3+][C@H](Cc1c[nH]c[nH+]1)C([O-])=O [NH3+][C@H](Cc1c[nH]c[nH+]1)C([O-])=O is the D-enantiomer of histidinium(1+). It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of D-histidine . It is also related to or classified as histidinium(1+)  .
The molecule C[C@@](O)(CC(O)=O)C(O)=O C[C@@](O)(CC(O)=O)C(O)=O is the D-enantiomer of citramalic acid. It is a conjugate acid of D-citramalate(2-) . It is also related to or classified as citramalic acid  .
The molecule N[C@@H](CCC(=O)N[C@@H](CC#N)C(O)=O)C(O)=O N[C@@H](CCC(=O)N[C@@H](CC#N)C(O)=O)C(O)=O is A dipeptide composed of 3-cyano-L-alanine and L-glutamine joined by a peptide linkage formed from the side-chain of glutamine. It has the role of mouse metabolite . It has the role of plant metabolite . Its functional parent is 3-cyano-L-alanine . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .
The molecule [H]C(=N)N[C@@H](CC([O-])=O)C([O-])=O [H]C(=N)N[C@@H](CC([O-])=O)C([O-])=O is A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of N-formimidoyl-L-aspartic acid. Its functional parent is L-aspartate(2-) . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as alpha-amino-acid anion .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3 is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C(O)=O)/C)/C C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C(O)=O)/C)/C is A retinoid obtained by epoxidation across the 5,6-double bond of retinoic acid. It has the role of EC 4.1.1.17 (ornithine decarboxylase) inhibitor . It has the role of antineoplastic agent . It has the role of human xenobiotic metabolite . It has the role of rat metabolite . Its functional parent is all-trans-retinoic acid . It is a conjugate acid of 5,6-epoxyretinoate . It is also related to or classified as retinoid  . It is also related to or classified as epoxide  .
The molecule CC(CC(C(=O)[O-])[NH3+])[NH3+] is conjugate acid of 2,4-diaminopentanoic acid having both nitrogens protonated and an anionic carboxy group. It is a conjugate acid of a 2,4-diaminopentanoic acid.
The molecule CC(=CCC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)C is a sesquiterpene consisting of a tricyclo[2.2.1.0(2,6)]heptane skeleton substituted by methyl groups at positions 1 and 7 and by a 4-methylpent-3-en-1-yl group at position 7 (the 1S,2R,4S,6R,7R diastereoisomer). It is a sesquiterpene and a bridged compound.
The molecule C/C=C(/C=O)\\C(CC=O)CC(=O)OCCC1=CC(=C(C=C1)O)O is an enal, a member of catechols, a dialdehyde and a carboxylic ester. It has a role as a plant metabolite. It derives from a hydroxytyrosol.
The molecule CCCCCCC[C@H](O)CC(=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 CCCCCCC[C@H](O)CC(=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 (S)-3-hydroxyacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxydecanoyl-CoA; major species at pH 7.3. It is also related to or classified as (S)-3-hydroxyacyl-CoA(4-)  . It is also related to or classified as 3-hydroxydecanoyl-CoA(4-)  .
The molecule [129I] [129I] is the isotope of iodine with relative atomic mass 128.904988, and nuclear spin 7/2. It is also related to or classified as iodine atom  .
The molecule C=1NC(=C(CC(=O)[O-])N1)O C=1NC(=C(CC(=O)[O-])N1)O is A monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of 5-hydroxyimidazole-4-acetic acid. It is also related to or classified as monocarboxylic acid anion  .
The molecule CN(CC(O)=O)C(N)=O CN(CC(O)=O)C(N)=O is the N-carbamoyl derivative of sarcosine. Its functional parent is N-methylglycines . It is a conjugate acid of N-carbamoylsarcosinate . It is also related to or classified as glycine derivative .
The molecule C=1(C(CCC(C1C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)(C)C)/C=C/C(=C/C=C/C(=C/C(O)=O)/C)/C C=1(C(CCC(C1C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)(C)C)/C=C/C(=C/C=C/C(=C/C(O)=O)/C)/C is A hydroxyretinoic glucuronide that is all-trans-4-hydroxyretinoic acid attached to a beta-D-glucuronic acid residue via a glycosidic linkage. Its functional parent is all-trans-4-hydroxyretinoic acid . It is a conjugate acid of 4-(beta-D-glucopyranuronosyloxy)retinoate(2-) . It is also related to or classified as beta-D-glucosiduronic acid , hydroxyretinoic glucuronide .
The molecule COC(=O)CCC/C=C\\C=C\\C(C/C=C\\C/C=C\\CCCCCO)OO is a hydroperoxy fatty ester resulting from the formal condensation of the carboxy group of (5Z,7E,11Z,14Z)-9-hydroperoxy-20-hydroxyicosa-5,7,11,14-tetraenoic acid with methanol. It is a hydroperoxy fatty ester, a fatty acid methyl ester and an omega-hydroxy fatty ester.
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OCCNC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of anandamide. It is a fatty acid ester and a fatty amide. It derives from an anandamide and an oleic acid.
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@H]3O)C=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)O)CO)O)O is a branched amino pentadecasaccharide comprising beta-D-galactosyl, beta-D-glucosyl and 2,5-anydro-D-mannose residues linked sequentially (1->4) and (1->6), to the galactosyl residue of which are linked (1->3) two units of beta-D-Gal-(1->4)-beta-D-Glc-(1->6)-[alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)]-beta-D-GlcNAc themselves linked (1->3). Obtained by depolymerisation of the group B Streptococcus (GBS) type III capsular polysaccharide during which process the 2,5-anhydro-D-mannose residue is formed from the original reducing-end N-acetyl-glucosaminyl residue (PMID:28439022).
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=NC=CN=C3)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=NC=CN=C3)C is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)[O-])O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a monocarboxylic acid anion and organophosphate oxoanion resulting from the deprotonation of both the carboxy group and the phosphate group of ditrans,polycis-dodecaprenyl phosphate-GalA. The major species at pH 7.3. It is an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a ditrans,polycis-dodecaprenyl phosphate-GalA.
The molecule COC1=C(O)C=CC(=C1)C(=O)OC1CCCCC1 COC1=C(O)C=CC(=C1)C(=O)OC1CCCCC1 is A benzoate ester resulting from the formal condensation of the carboxy group of vanillic acid with the hydroxy group of cyclohexanol. It has the role of geroprotector . Its functional parent is cyclohexanol . Its functional parent is vanillic acid .  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , benzoate ester .
The molecule CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O is A tetrapeptide composed of L-alanine, L-methionine, L-aspartic acid and L-tyrosine joined in sequence by peptide linkages. Its functional parent is L-methionine . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . Its functional parent is L-tyrosine . It is also related to or classified as tetrapeptide  .
The molecule [Br-] [Br-] is bromide. It is also related to or classified as halide anion  . It is also related to or classified as monoatomic bromine .
The molecule C1C[C@H](NC1)C(=O)NC2=CC3=CC=CC=C3C=C2 is an L-proline derivative that is the amide obtained by formal condensation of the carboxy group of L-proline with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is a N-(2-naphthyl)carboxamide, an amino acid amide and a L-proline derivative.
The molecule CCCCCC(C(CCO)NCCCC[C@@H](C(=O)O)NC(=O)C)O is an L-lysine derivative in which the alpha-amino nitrogen of the amino acid has entered into amide formation with acetic acid and the epsilon-amino nitrogen carries a 1,4-dihydroxynonan-3-yl substituent. It has been synthesised by reaction of (E)-4-hydroxynon-2-enal (HNE) with N(2)-acetyl-L-lysine, the epsilon amino group of lysine reacting with the double bond function of HNE via formation of a Michael adduct.
The molecule C1C(NC2=C(N1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O is a tetrahydropterin that is monapterin tetrahydrogenated at positions 5, 6, 7 and 8. It has a role as a cofactor. It is a tetrahydropterin and a member of neopterins.
The molecule CCCCCCCCCCCCCCCCOC[C@H](CO)OC(=O)CCCCCCCCCCC CCCCCCCCCCCCCCCCOC[C@H](CO)OC(=O)CCCCCCCCCCC is 1-O-hexadecyl-2-O-lauroyl-sn-glycerol. Its functional parent is glycerol . It is also related to or classified as 1-alkyl-2-acyl-sn-glycerol  . It is also related to or classified as dodecanoate ester  .
The molecule C1=CC2=C(C=C1I)/C(=C(\[H])/C3=CC(=C(C(=C3)Br)O)Br)/C(=N2)O C1=CC2=C(C=C1I)/C(=C(\[H])/C3=CC(=C(C(=C3)Br)O)Br)/C(=N2)O is gW5074 is a potent and selective c-Raf inhibitor. It is also related to or classified as organic molecular entity .
The molecule CC(C)[C@@H]1CC\C(C)=C\CC[C@@](C)(O)\C=C\1 CC(C)[C@@H]1CC\C(C)=C\CC[C@@](C)(O)\C=C\1 is A 1(10),5-germacradien-4-ol in which the hydroxy group has R-configuration. It has the role of plant metabolite . It is also related to or classified as 1(10),5-germacradien-4-ol  .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is N-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC is 1-[(5R,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .