anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H](C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)CC4CCOCC4)O C[C@@H](C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)CC4CCOCC4)O is (2S)-4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CN1CCC[C@H]1C2=CN=CC=C2 is a 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. It has a role as a phytogenic insecticide, a teratogenic agent, a neurotoxin, an anxiolytic drug, a nicotinic acetylcholine receptor agonist, a biomarker, an immunomodulator, a mitogen, a peripheral nervous system drug, a psychotropic drug, a plant metabolite and a xenobiotic. It is a conjugate base of a (S)-nicotinium(1+). It is an enantiomer of a (R)-nicotine.
The molecule C(C(O)=O)CC/C=C\C/C=C\CCCCC/C=C\CC C(C(O)=O)CC/C=C\C/C=C\CCCCC/C=C\CC is an unsaturated fatty acid found in vernix caseosa. It is also related to or classified as organic molecular entity .
The molecule C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl is a chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhbitor and a potential anti-cancer agent currently in clinical development. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor and an antineoplastic agent. It is a chloroindole, a sulfonamide and an organochlorine compound.
The molecule CC=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 CC=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 tetraanion of but-2-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .
The molecule [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])COP(O[C@@H]4[C@H](O[C@@H](N5C6=C(C(N)=NC=N6)N=C5)[C@@H]4O)COP(O[C@@H]7[C@H](O[C@@H](N8C9=C(C(=O)NC(=N9)N)N=C8)[C@@H]7O)CO)([O-])=O)(=O)[O-] [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])COP(O[C@@H]4[C@H](O[C@@H](N5C6=C(C(N)=NC=N6)N=C5)[C@@H]4O)COP(O[C@@H]7[C@H](O[C@@H](N8C9=C(C(=O)NC(=N9)N)N=C8)[C@@H]7O)CO)([O-])=O)(=O)[O-] is major microspecies at pH 7.3.  It is also related to or classified as oligonucleotide  . It is also related to or classified as organophosphate oxoanion .
The molecule C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(F)(F)F C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(F)(F)F is 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as trifluoroacetamide , pyrazoles .
The molecule C[C@@H](N[C@@H](C)C(O)=O)C(O)=O C[C@@H](N[C@@H](C)C(O)=O)C(O)=O is meso-2,2'-iminodipropanoic acid. It is a conjugate acid of meso-2,2'-iminodipropanoate . It is also related to or classified as 2,2'-iminodipropanoic acid  .
The molecule CC(C)C1=C[C@@H]([C@@](CC1)(C)C=C)C(=C)C is a sesquiterpene that is cyclohexene that is substituted at positions 1, 3, 4, and 4 by isopropyl, isopropenyl, methyl, and vinyl groups, respectively (the R,R stereoisomer). It has a role as an apoptosis inducer and a plant metabolite. It is a monocyclic hydrocarbon, a cyclic olefin and a sesquiterpene.
The molecule CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4(CCCCC4)O)O is tetraanion of (1-hydroxycyclohexyl)acetyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups. It is a conjugate base of a (1-hydroxycyclohexyl)acetyl-CoA.
The molecule C=1C=C(C=CC1C(N[C@H](CCC(N[C@H](CCC(=O)O)C(N[C@@H](CCC(=O)O)C(N[C@H](CCC(=O)O)C(N[C@@H](CCC(=O)O)C(=O)O)=O)=O)=O)=O)C(=O)O)=O)N(C[C@H]2CNC3=C(C(NC(N)=N3)O)N2)C(=O)[H] C=1C=C(C=CC1C(N[C@H](CCC(N[C@H](CCC(=O)O)C(N[C@@H](CCC(=O)O)C(N[C@H](CCC(=O)O)C(N[C@@H](CCC(=O)O)C(=O)O)=O)=O)=O)=O)C(=O)O)=O)N(C[C@H]2CNC3=C(C(NC(N)=N3)O)N2)C(=O)[H] is A tetrahydrofolyl glutamate consisting of a 10-formyltetrahydrofolyl group linked via an amide bond to a gamma-glutamyl chain of 5 residues. It is also related to or classified as organic molecular entity .
The molecule CN(CCC[C@@H](C(=O)O)N)C(=N)N is a non-proteinogenic L-alpha-amino acid that is L-arginine substituted by a methyl group at N(5)-position. It is a non-proteinogenic L-alpha-amino acid, a member of guanidines and a L-arginine derivative.
The molecule CC(=O)C=C CC(=O)C=C is A methyl ketone that is  butan-2-one with an unsaturation at position 3. Its functional parent is butan-2-one . Its functional parent is but-1-ene . It is also related to or classified as enone  . It is also related to or classified as methyl ketone .
The molecule C1(C2=CC=CC=C2O)=CC=CC(=C1O)O C1(C2=CC=CC=C2O)=CC=CC(=C1O)O is biphenyl-2,2',3-triol. It has the role of mouse metabolite . It is also related to or classified as hydroxybiphenyls  . It is also related to or classified as catechols  .
The molecule C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O is a tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively. It is a tetrahydroxyflavanone and a member of 3'-hydroxyflavanones.
The molecule CN(C)CCC1=CC=CC=C1\N=N/C1=CC=C(O)C(O)=C1 CN(C)CCC1=CC=CC=C1\N=N/C1=CC=C(O)C(O)=C1 is the cis isomer of azodopa. It is also related to or classified as azodopa  .
The molecule CC[C@H]([C@H](C)C(=O)O)O is a diketide with a pentanoic acid structure substituted at the alpha and beta positions by methyl and hydroxy groups respectively. It is a diketide, a 3-hydroxy monocarboxylic acid and a hydroxy fatty acid.
The molecule [H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccccc12 [H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccccc12 is 8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. It has the role of metabolite . It is also related to or classified as (8xi)-cinchonan-9-ol  . It is also related to or classified as cinchona alkaloid .
The molecule [19F] [19F] is the stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2. It is also related to or classified as fluorine atom  .
The molecule C[C@H](CCCC/C=C/C(=O)O)O is an (omega-1)-hydroxy fatty acid that is (2E)-non-2-enoic acid in which the hydrogen at the 8 pro-R position is replaced by a hydroxy group. It is a medium-chain fatty acid, an (omega-1)-hydroxy fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a hydroxy monounsaturated fatty acid.
The molecule [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O[C@@H]4[C@@H]([C@H]([C@H](O[C@@H]4C(=O)O)O)O)O)O)O)O)O)C(=O)O)O)O is a tetraisaccharide in which four alpha-D-galactopyranuronic acid units are joined via (1->4)-linkages. It has a role as a bacterial xenobiotic metabolite. It is a carbohydrate acid and a tetrasaccharide.
The molecule CN(C)CCC1=CC=CC=C1\N=N\C1=CC=C(O)C(O)=C1 CN(C)CCC1=CC=CC=C1\N=N\C1=CC=C(O)C(O)=C1 is the trans isomer of azodopa. It is also related to or classified as azodopa  .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)[O-])O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O is a polysaccharide acid oxoanion arising from global deprotonation of the carboxylic and sulfonic acid groups of the repeating units in chondroitin 6'-sulfate; major species at pH 7.3. It derives from a chondroitin D-glucuronate anion. It is a conjugate base of a chondroitin 6'-sulfate.
The molecule CC(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 CC(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 acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3-hydroxybutanoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule NCCC(=O)C1=CC=CC(O)=C1N NCCC(=O)C1=CC=CC(O)=C1N is A hydroxykynurenamine that is kynurenamine carrying a hydroxy group at position 3. It is a metabolite of tryptophan that exhibits antiinflammatory and immunomodulatory properties. It has the role of immunomodulator . It has the role of anti-inflammatory agent . It has the role of human metabolite .  It is also related to or classified as phenols  . It is also related to or classified as hydroxykynurenamine .
The molecule CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)N is a 12 amino acid oligopeptide fragment of apelin-13 lacking the terminal L-phenylalanine residue. It has a role as a human metabolite, a neuroprotective agent, a human blood serum metabolite and a biomarker. It is a conjugate base of an apelin-12(3+).
The molecule O=C(N(C=1C=CC=CC1)C2CCN(CCC=3C=CC=CC3)CC2)C4CC4 O=C(N(C=1C=CC=CC1)C2CCN(CCC=3C=CC=CC3)CC2)C4CC4 is A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with cyclopropanecarboxylic acid. It is a fentanyl analog associated with numerous overdose deaths. It has the role of opioid analgesic . It has the role of mu-opioid receptor agonist . It is also related to or classified as anilide  .  It is also related to or classified as monocarboxylic acid amide  .  It is also related to or classified as cyclopropylcarboxamide  . It is also related to or classified as piperidines , tertiary amino compound .
The molecule CC(C)(CC(=O)O)CC(=O)O is an alpha,omega-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position. It has a role as a metabolite. It derives from a glutaric acid.
The molecule C[NH2+]C[C@@H](C1=CC(=C(C=C1)O)O)O is an organic cation that is the conjugate acid of (R)-adrenaline, obtained by protonation of the amino group; major species at pH 7.3. It has a role as a human metabolite. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a (R)-adrenaline.
The molecule CCCCCC(O)CCC(O)CCCCCCCCC(O)=O CCCCCC(O)CCC(O)CCCCCCCCC(O)=O is A hydroxy fatty acid that is octadecanoic acid carrying two hydroxy substituents at positions 10 and 13. It is a conjugate acid of 10,13-dihydroxyoctadecanoate . It is also related to or classified as hydroxyoctadecanoic acid , dihydroxy monocarboxylic acid .
The molecule CCCCCCCCCCCCCCC(C=O)O is a hydroxy fatty aldehyde that is hexadecanal in which one of the hydrogens at position 2 has been replaced by a hydroxy group. It has a role as a Saccharomyces cerevisiae metabolite. It is a hydroxy fatty aldehyde and a long-chain fatty aldehyde. It derives from a hexadecanal.
The molecule CC(C)(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br CC(C)(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br is 3-bromo-N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxybenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CC(O)C(C)C([O-])=O CC(O)C(C)C([O-])=O is A hydroxy fatty acid anion that is the conjugate base of 2-methyl-3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is butyrate . It is also related to or classified as hydroxy fatty acid anion .
The molecule C1CCC(CC1)NC(=O)N2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=C(C=C5)C#N C1CCC(CC1)NC(=O)N2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=C(C=C5)C#N is (1R,5S)-7-[4-(4-cyanophenyl)phenyl]-N-cyclohexyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoic acid. It is a member of n-3 PUFA and a product of alpha-linolenoic acid metabolism. It has a role as a mouse metabolite. It is a 3-oxo-fatty acyl-CoA, an unsaturated fatty acyl-CoA and a long-chain fatty acyl-CoA. It is a conjugate acid of a (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4-).
The molecule OC(C(CCCCC)C=O)C1=CC=CC=C1 OC(C(CCCCC)C=O)C1=CC=CC=C1 is this compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. It is also related to or classified as organic molecular entity .
The molecule C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O is a triterpenoid saponin that is asiatic acid attached to a a beta-D-glucopyranosyl residue at position 3 and a alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue at position 28. Isolated from the methanolic extract of the leaves of Symplocos lancifolia, it exhibits antibacterial activity. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a triterpenoid saponin. It derives from an asiatic acid. It derives from a hydride of an ursane.
The molecule CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O is A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group. It has the role of anticoagulant . It has the role of EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor . It is also related to or classified as hydroxycoumarin .
The molecule CCNC[C@H]1[C@H]([C@H](N1C(=O)CC2=CC=CC=N2)CO)C3=CC=CC=C3 CCNC[C@H]1[C@H]([C@H](N1C(=O)CC2=CC=CC=N2)CO)C3=CC=CC=C3 is 1-[(2R,3R,4S)-2-(ethylaminomethyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(2-pyridinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br is 2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester. It is also related to or classified as alpha-amino acid ester  .
The molecule Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 is A 2'-deoxyribonucleoside 5'-triphosphate(4-) that is the tetraanion of 2'-deoxyadenosine 5'-triphosphate (dATP), arising from deprotonation of the four triphosphate OH groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as 2'-deoxyribonucleoside 5'-triphosphate(4-)  .
The molecule COC1=C(C=CC(=C1)CCN)OS(=O)(=O)O is an aryl sulfate that is 3-methoxytyramine in which the phenolic hydrogen has been replaced by a sulfo group. It is an aryl sulfate, a monomethoxybenzene and a primary amino compound. It derives from a 3-methoxytyramine. It is a tautomer of a 3-methoxytyramine sulfate zwitterion.
The molecule OC1NC(=O)NC1=O OC1NC(=O)NC1=O is an imidazolidine-2,4-dione that is  hydantoin substituted by a hydroxy group at position 5. It has the role of animal metabolite . It has the role of marine metabolite . Its functional parent is hydantoin . It is also related to or classified as imidazolidine-2,4-dione , organic hydroxy compound .
The molecule C1CN(CCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N is a benzocycloheptapyridine that is benzo[5,6]cyclohepta[1,2-b]pyridine which is substituted at positions 3 and 10 by bromines, at position 8 by chlorine, and at position 11 by an N-acetylpiperidin-4-yl group in which one of the hydrogens of the acetyl moiety has been replaced by a 1-carbamoylpiperidin-4-yl group. It is a benzocycloheptapyridine, a N-acylpiperidine, a heteroarylpiperidine, an organochlorine compound, an organobromine compound and a member of ureas.
The molecule CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C2=NC=CN=C2 CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C2=NC=CN=C2 is N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazide. It is also related to or classified as carbohydrazide  . It is also related to or classified as pyrazines .
The molecule OC(=O)\C=C\C=C\c1ccc2OCOc2c1 OC(=O)\C=C\C=C\c1ccc2OCOc2c1 is A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum). It has the role of plant metabolite . Its functional parent is (E)-penta-2,4-dienoic acid . It is a conjugate acid of (E,E)-piperate . It is also related to or classified as benzodioxoles , alpha,beta-unsaturated monocarboxylic acid .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino hexasaccharide that is beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc in which the hydroxy groups at positions 2 and 3 of the mannosyl residue have been glycosylated by beta-D-xylopyranosyl and alpha-D-mannopyranosyl residues respectively, while the GlcNAc residue at the reducing end carries also an alpha-L-fucosyl residue attached via a (1->3)-linkage. It is also related to or classified as alpha-L-Fucp-(1->3)-{alpha-D-Manp-(1->3)-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)}-D-GlcpNAc  . It is also related to or classified as amino sugar , glucosamine oligosaccharide , amino hexasaccharide .
The molecule CC[C@H]1C[C@@H]2C[C@@]3([C@H]1[NH+](C2)CCC4=C3NC5=C4C=C(C=C5)O)C(=O)OC is a tertiary ammonium ion resulting from the protonation of the tertiary amino group of 10-hydroxycoronaridine. The major species at pH 7.3. It is a conjugate acid of a 10-hydroxycoronaridine.
The molecule CCC(CC([O-])=O)C([O-])=O CCC(CC([O-])=O)C([O-])=O is A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of 2-ethylsuccinic acid. Its functional parent is succinate(2-) . It is also related to or classified as dicarboxylic acid dianion  .
The molecule C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O is a member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. It has a role as a uricosuric drug. It is a member of triazoles, a member of naphthalenes, a member of cyclopropanes, an organobromine compound, an aryl sulfide and a monocarboxylic acid.
The molecule CN1C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC CN1C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC is LSM-37533. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1 COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1 is A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 8 and 4' and hydroxy groups at positions 5 and 7 respectively. It has the role of plant metabolite . Its functional parent is flavone . It is a conjugate acid of nevadensin-7-olate . It is also related to or classified as trimethoxyflavone , dihydroxyflavone .
The molecule CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O is a methyladenosine compound with two methyl groups attached to N(6) of the adenine nucleobase. It derives from an adenosine.
The molecule CCN(CC)C1=CC=C2C(OC(=O)C(=C2C)C2=CC=C(C=C2)N2C(=O)C=CC2=O)=C1 CCN(CC)C1=CC=C2C(OC(=O)C(=C2C)C2=CC=C(C=C2)N2C(=O)C=CC2=O)=C1 is A member of the class of coumarins that is 2H-chromen-2-one substituted by 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl, methyl, and diethylamino groups at positions 3, 4 and 7, respectively. It is a thiol-reactive fluorescent dye. It has the role of fluorescent dye . It is also related to or classified as benzenes , coumarins , tertiary amino compound , maleimides .
The molecule CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O)O is an abietane diterpenoid that is abieta-8,11,13-triene substituted by hydroxy groups at positions 11 and 12 and a carboxy group at position 20. It is isolated from rosemary (Rosmarinus officinalis) and common sage (Salvia officinalis) and exhibits anti-angiogenic, antineoplastic, antioxidant and anti-HIV activity. It has a role as an antineoplastic agent, an antioxidant, a HIV protease inhibitor, an angiogenesis modulating agent, an apoptosis inducer, a plant metabolite, an anti-inflammatory agent and a food preservative. It is an abietane diterpenoid, a carbotricyclic compound, a member of catechols and a monocarboxylic acid. It is a conjugate acid of a carnosate.
The molecule OC(O)=S OC(O)=S is carbonothioic O,O-acid. It is also related to or classified as carbonothioic acid , one-carbon compound .
The molecule O=C(NC(C(=O)OC)CS)C O=C(NC(C(=O)OC)CS)C is N-acetylcysteine methyl ester.  It is also related to or classified as methyl ester  . It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as acetamides .
The molecule NC(CCCN\C(N)=N/O)C(O)=O NC(CCCN\C(N)=N/O)C(O)=O is N(5)-[(Z)-amino(hydroxyimino)methyl]ornithine. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as N(5)-[amino(hydroxyimino)methyl]ornithine  .
The molecule C[C@@H]1[C@@H]([C@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC)C is a lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4, a 3,4-dimethoxyphenyl group at position 5 and a 1,3-benzodioxol-5-yl moiety at position 2 (the 2R,3R,4S,5S stereoisomer). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO). It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of benzodioxoles, a dimethoxybenzene, a lignan and a member of oxolanes.
The molecule C1CN(CCN1C(=O)CCBr)C(=O)CCBr is an N-acylpiperazine that is piperazine in which each of the nitrogens has been acylated by a 3-bromopropionoyl group. An anti-cancer drug. It has a role as an antineoplastic agent and an alkylating agent. It is a N-acylpiperazine, a tertiary carboxamide and an organobromine compound.
The molecule O1C(O)[C@H](OC[2H])[C@@H](O)[C@H](O)C1 O1C(O)[C@H](OC[2H])[C@@H](O)[C@H](O)C1 is this compound belongs to the class of organic compounds known as monosaccharides. It is also related to or classified as organic molecular entity .
The molecule [H+].COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)F)C=C1 is a singly-charged organic cation obtained by protonation of 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide.
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as pentadecanoyl and docosanoyl respectively. It has a role as a mouse metabolite and a rat metabolite. It is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine and a phosphatidylethanolamine 37:0. It derives from a docosanoic acid and a pentadecanoic acid.