anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]3[C@H](O[C@@H]([C@H]([C@@H]3O)NC([H])=O)C)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4O)NC([H])=O)C)O[C@@H]5[C@H](O[C@@H]([C@H]([C@@H]5O)NC([H])=O)C)O[C@@H]6[C@H](O[C@@H]([C@H]([C@@H]6O)NC([H])=O)C)OCCCCCC(OC)=O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]3[C@H](O[C@@H]([C@H]([C@@H]3O)NC([H])=O)C)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4O)NC([H])=O)C)O[C@@H]5[C@H](O[C@@H]([C@H]([C@@H]5O)NC([H])=O)C)O[C@@H]6[C@H](O[C@@H]([C@H]([C@@H]6O)NC([H])=O)C)OCCCCCC(OC)=O is A glycoside that consists of an alpha-D-mannose residue and five N-formyl-alpha-D-perosamine residues all linked sequentially (1->2) and linked at the reducing end glycosidically to a 5-(methoxycarbonyl)pentyl group. It is also related to or classified as glycoside  . It is also related to or classified as methyl ester  . It is also related to or classified as hexasaccharide derivative .
The molecule C[N+](C)(C)CC(=O)CC(O)=O C[N+](C)(C)CC(=O)CC(O)=O is A quaternary ammonium ion that is the conjugate acid of 3-dehydrocarnitine. It has the role of human metabolite . Its functional parent is carnitinium . It is a conjugate acid of 3-dehydrocarnitine . It is also related to or classified as quaternary ammonium ion  .
The molecule C(CCCCCO)CCCCCO is a diol that is undecane in which a hydrogen attached to each of the terminal methyl groups has been replaced by a hydroxy group. It is a diol, an aliphatic alcohol and a primary alcohol.
The molecule P(=O)(N=C(N(CC)CC)C)(OC)F P(=O)(N=C(N(CC)CC)C)(OC)F is A carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(methoxy)phosphoryl group. A toxic nerve agent developed by the former Soviet Union. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of neurotoxin .  It is also related to or classified as carboxamidine  . It is also related to or classified as fluorine molecular entity , organic phosphoramidate .
The molecule NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O is NMN zwitterion. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of NMN(-) . It is also related to or classified as nicotinamide mononucleotide .
The molecule COc1cc(C=CC)ccc1O COc1cc(C=CC)ccc1O is A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. It has the role of sensitiser . It has the role of allergen . Its functional parent is guaiacol . It is also related to or classified as alkenylbenzene , phenylpropanoid .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=C(NC=N1)CC(C(=O)O)O is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. It has a role as a metabolite, a human metabolite and an Escherichia coli metabolite. It is a 2-hydroxy monocarboxylic acid and a member of imidazoles. It derives from a 2-hydroxypropanoic acid. It is a conjugate acid of a 3-(imidazol-5-yl)lactate.
The molecule C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C([O-])=O C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C([O-])=O is A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the amino groups of Lys-Ala; major species at pH 7.3. It is a conjugate acid of Lys-Ala . It is also related to or classified as peptide cation .
The molecule C([C@H](C(=O)O)[NH3+])O is the D-enantiomer of serinium. It is a conjugate acid of a D-serine. It is an enantiomer of a L-serinium.
The molecule NC(=[NH2+])N[C@@H](CC([O-])=O)C([O-])=O NC(=[NH2+])N[C@@H](CC([O-])=O)C([O-])=O is conjugate base of N-amidino-L-aspartate arising from deprotonation of the carboxy groups and protonation of the guanidino group; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid anion  .
The molecule Nc1c(CC(O)=O)cccc1C(=O)c1ccccc1 Nc1c(CC(O)=O)cccc1C(=O)c1ccccc1 is an oxo monocarboxylic acid that is benzophenone in which one of the phenyl groups is substituted by an amino group and a carboxymethyl group at position 2 and 3, respectively. The corresponding carboxamide, nepafenac, is a prodrug of amfenac and is used for the treatment of pain and inflammation following cataract surgery. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It is a conjugate acid of amfenac(1-) . It is also related to or classified as benzophenones , amino acid , oxo monocarboxylic acid , substituted aniline , primary amino compound .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4O)NC([H])=O)C)OCCCCCC(OC)=O)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4O)NC([H])=O)C)OCCCCCC(OC)=O)O is A glycoside that consists of an alpha-D-mannose residue and three N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->3) and (1->2) and linked at the reducing end glycosidically to a 5-(methoxycarbonyl)pentyl group. It is also related to or classified as glycoside  . It is also related to or classified as methyl ester  . It is also related to or classified as tetrasaccharide derivative .
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)C4=CC=NC=C4 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)C4=CC=NC=C4 is N-[[(3R,9R,10R)-16-[[cyclohexyl(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC[C@@H](C(=O)O)N is a serine derivative that is L-serine with a methyl group replacing the hydrogen on the hydroxy side chain. It has a role as a metabolite. It is a L-serine derivative and a non-proteinogenic L-alpha-amino acid.
The molecule O[C@]1([C@@H](OC)C(=O)NC2=C1C(O)=C(C=C2)/C=C/C(=C)C)C3=CC=C(OC)C=C3 O[C@]1([C@@H](OC)C(=O)NC2=C1C(O)=C(C=C2)/C=C/C(=C)C)C3=CC=C(OC)C=C3 is yaequinolone E. Its functional parent is Quinolinone B . It is also related to or classified as quinolines .
The molecule C1=COC(=C1)C(=O)NC2=NC3=C(C(=O)S2)SC=C3 C1=COC(=C1)C(=O)NC2=NC3=C(C(=O)S2)SC=C3 is N-(4-oxo-2-thieno[3,2-d][1,3]thiazinyl)-2-furancarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule P(=O)(N=C(N(CC)CC)C)(C)F P(=O)(N=C(N(CC)CC)C)(C)F is A carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(methyl)phosphoryl group. A toxic nerve agent developed by the former Soviet Union. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of neurotoxin .  It is also related to or classified as carboxamidine  . It is also related to or classified as fluorine molecular entity , organic phosphoramidate .
The molecule OS(OC=1C=CC(=CC1OC)C=CC)(=O)=O OS(OC=1C=CC(=CC1OC)C=CC)(=O)=O is A phenylpropanoid that is isoeugenol in which the phenolic hydrogen has been replaced by a sulfo group. Its functional parent is isoeugenol . It is a conjugate acid of isoeugenol sulfate(1-) . It is also related to or classified as monomethoxybenzene , phenylpropanoid , aryl sulfate .
The molecule CCCCCC[C@H](C)C[C@H](C)[C@@H]1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C)C)CC(C)C)C(C)C)C is an emericellamide derived from N-[(2R,3R,4S,6S)-3-hydroxy-2,4,6-trimethyldodecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.
The molecule O=C1C2=C(O)C=C(OC)C(=C2[C@@H](O)[C@@H]3[C@@H]1CO[C@](C3)(O)C)O O=C1C2=C(O)C=C(OC)C(=C2[C@@H](O)[C@@H]3[C@@H]1CO[C@](C3)(O)C)O is (3R,4aS,5S,10aR)-5-hydroxydihydrofusarubin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CN1C=C(C(=N1)C(F)F)C(=O)NC2=C(C=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 3',4'-dichloro-5-fluorobiphenyl-2-amine. A fungicide for use in cereals for key stem and leaf disease control including strobilurin-resistant septoria. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an aromatic amide, an organofluorine compound, a member of pyrazoles, a member of biphenyls, a dichlorobenzene and an anilide fungicide.
The molecule O1[C@@H](OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@H]1CO O1[C@@H](OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@H]1CO is an amino disaccharide consisting of a 2-acetamido-2-deoxy-beta-D-galactopyranose residue and a 2-acetamido-2-deoxy-D-galactopyranose residue joined in sequence by a (1->6) glycosidic bond. Its functional parent is N-acetyl-D-galactosamine . Its functional parent is N-acetyl-beta-D-galactosamine . It is also related to or classified as acetamides , amino disaccharide , galactosamine oligosaccharide , glucosamine oligosaccharide .
The molecule C1=CC=C(C=C1)OC(=O)C(C#N)C2=CC=CC=N2 C1=CC=C(C=C1)OC(=O)C(C#N)C2=CC=CC=N2 is LSM-20628. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O is an arabinonic acid derivative that is L-arabinonic acid carrying a single phospho substituent at position 5. It is a phospho sugar and an arabinonic acid derivative. It derives from a L-arabinonic acid. It is a conjugate acid of a 5-phospho-L-arabinonate(3-).
The molecule [H]O[Te]([O-])(O[H])(O[H])(O[H])O[H] [H]O[Te]([O-])(O[H])(O[H])(O[H])O[H] is A monovalent inorganic anion that consists of orthotelluric acid where one of the six OH groups has been deprotonated. It is a conjugate acid of orthotellurate(2-) . It is also related to or classified as orthotellurate ion , monovalent inorganic anion .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OCCN is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as oleoyl and myristoyl respectively. It is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine and a tetradecanoate ester. It derives from an oleic acid. It is a tautomer of a 1-oleoyl-2-myristoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O is A pyrimidine 2'-deoxyribonucleoside compound having 5-bromouracil as the nucleobase. It has the role of antimetabolite . It has the role of antineoplastic agent . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside .
The molecule N1c2ccccc2Sc2ccccc12 N1c2ccccc2Sc2ccccc12 is the 10H-tautomer of phenothiazine. It has the role of ferroptosis inhibitor . It has the role of radical scavenger . It has the role of plant metabolite . It is also related to or classified as phenothiazine  .
The molecule P(=O)(SCCN(CC)CC)(OCC(C)C)C P(=O)(SCCN(CC)CC)(OCC(C)C)C is A organic thiophosphate that is the isobutyl ester of S-[2-(diethylamino)ethyl] O hydrogen methylphosphonothioate. A toxic nerve agent developed by the former Soviet Union. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of neurotoxin . It is also related to or classified as organic thiophosphate , tertiary amino compound .
The molecule COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3OC)OC)OC COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3OC)OC)OC is 5,7,8-trimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one. It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as 7-methoxyisoflavones  .
The molecule OC[C@H]1O[C@@H](N2C=3N=C(NC(C3N=C2)=O)N)[C@@H]([C@@H]1OP(OC[C@H]4O[C@@H](N5C(NC(C=C5)=O)=O)[C@@H]([C@@H]4OP(OC[C@H]6O[C@@H](N7C8=NC=NC(=C8N=C7)N)[C@@H]([C@@H]6OP(OC[C@H]9O[C@@H](N%10C(NC(C=C%10)=O)=O)[C@@H]([C@@H]9OP(OC[C@H]%11O[C@@H](N%12C=%13N=C(NC(C%13N=C%12)=O)N)[C@@H]([C@@H]%11OP(OC[C@H]%14O[C@@H](N%15C(N=C(C=C%15)N)=O)[C@@H]([C@@H]%14OP(OC[C@H]%16O[C@@H](N%17C%18=NC=NC(=C%18N=C%17)N)[C@@H]([C@@H]%16OP(OC[C@H]%19O[C@@H](N%20C(NC(C=C%20)=O)=O)[C@@H]([C@@H]%19OP(OC[C@H]%21O[C@@H](N%22C%23=NC=NC(=C%23N=C%22)N)[C@@H]([C@@H]%21OP(OC[C@H]%24O[C@@H](N%25C=%26N=C(NC(C%26N=C%25)=O)N)[C@@H]([C@@H]%24OP(OC[C@H]%27O[C@@H](N%28C=%29N=C(NC(C%29N=C%28)=O)N)[C@@H]([C@@H]%27OP(OC[C@H]%30O[C@@H](N%31C(N=C(C=C%31)N)=O)[C@@H]([C@@H]%30O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O OC[C@H]1O[C@@H](N2C=3N=C(NC(C3N=C2)=O)N)[C@@H]([C@@H]1OP(OC[C@H]4O[C@@H](N5C(NC(C=C5)=O)=O)[C@@H]([C@@H]4OP(OC[C@H]6O[C@@H](N7C8=NC=NC(=C8N=C7)N)[C@@H]([C@@H]6OP(OC[C@H]9O[C@@H](N%10C(NC(C=C%10)=O)=O)[C@@H]([C@@H]9OP(OC[C@H]%11O[C@@H](N%12C=%13N=C(NC(C%13N=C%12)=O)N)[C@@H]([C@@H]%11OP(OC[C@H]%14O[C@@H](N%15C(N=C(C=C%15)N)=O)[C@@H]([C@@H]%14OP(OC[C@H]%16O[C@@H](N%17C%18=NC=NC(=C%18N=C%17)N)[C@@H]([C@@H]%16OP(OC[C@H]%19O[C@@H](N%20C(NC(C=C%20)=O)=O)[C@@H]([C@@H]%19OP(OC[C@H]%21O[C@@H](N%22C%23=NC=NC(=C%23N=C%22)N)[C@@H]([C@@H]%21OP(OC[C@H]%24O[C@@H](N%25C=%26N=C(NC(C%26N=C%25)=O)N)[C@@H]([C@@H]%24OP(OC[C@H]%27O[C@@H](N%28C=%29N=C(NC(C%29N=C%28)=O)N)[C@@H]([C@@H]%27OP(OC[C@H]%30O[C@@H](N%31C(N=C(C=C%31)N)=O)[C@@H]([C@@H]%30O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O)(=O)O)O is an RNA fragment comprised of four guanosine, three adenosine, three uridine and two cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-U-A-U-G-C-A-U-A-G-G-C. It is also related to or classified as RNA fragment .
The molecule [4He] is the stable isotope of helium with relative atomic mass 4.002603. The most abundant (99.99 atom percent) isotope of naturally occurring helium. It contains an alpha-particle.
The molecule O(C=1C(=O)C=2C3=C(C=CC2C4=CC(OC)=C(OC)C=C4)C=CC=C3C1)C O(C=1C(=O)C=2C3=C(C=CC2C4=CC(OC)=C(OC)C=C4)C=CC=C3C1)C is 9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule Cc1ccc(C(O)=O)c(O)c1 Cc1ccc(C(O)=O)c(O)c1 is A monohydroxybenzoic acid consisting of salicylic acid having a methyl group at the 4-position. Its functional parent is salicylic acid . It is also related to or classified as monohydroxybenzoic acid .
The molecule CC1(C(N(C(=O)N1C)C2=CC(=CC=C2)Cl)NC(=O)NC3=CC=C(C=C3)Cl)C is a member of the class of imidazolidinones that is 1,5,5-trimethyl-2-oxoimidazolidine bearing additional m-chlorophenyl and N'-p-chlorophenylureido substituents at positions 3 and 4 respectively. It is a member of monochlorobenzenes, an imidazolidinone and a member of phenylureas.
The molecule C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCC(=O)[O-] is a dicarboxylic acid monoanion that is the conjugate base of O-adipoylcarnitine; major spoecies at pH 7.3. It is a conjugate base of an O-adipoylcarnitine.
The molecule CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C is an erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. Its functional parent is erythronolide B . It is also related to or classified as erythromycin .
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O is A glycosylmannose that is beta-D-mannopyranose in which the hydroxy group at position 2 has been converted into the corresponding beta-D-xylopyranosyl derivative. Its functional parent is beta-D-xylose . It is also related to or classified as glycoside  . It is also related to or classified as glycosylmannose .
The molecule O[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O O[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O is the beta-anomer of L-arabinose 1-phosphate. It is a conjugate acid of beta-L-arabinose 1-phosphate(2-) . It is also related to or classified as L-arabinose 1-phosphate  .
The molecule OC(=O)[C@@H]1CCCNC1 OC(=O)[C@@H]1CCCNC1 is the (R)-enantiopmer of nipecotic acid. It is also related to or classified as nipecotic acid  .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC([H])=O)C)OCCCCCC(OC)=O)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC([H])=O)C)OCCCCCC(OC)=O)O is A glycoside that consists of an alpha-D-mannose residue linked (1->3) to an N-formyl-alpha-D-perosamine residue which in turn is linked glycosidically to a 5-(methoxycarbonyl)pentyl group. It is also related to or classified as glycoside  . It is also related to or classified as methyl ester  . It is also related to or classified as disaccharide derivative .
The molecule CC(C)[C@@H](Br)C(=O)NC(N)=O CC(C)[C@@H](Br)C(=O)NC(N)=O is A 2-bromo-N-carbamoyl-3-methylbutanamide that has R configuration. It is also related to or classified as 2-bromo-N-carbamoyl-3-methylbutanamide  .
The molecule C1Oc2ccccc2C=C1 C1Oc2ccccc2C=C1 is A simplest member of the class of chromene in which the heterocyclic pyran ring has a double bond between positions 3 and 4. It is also related to or classified as chromene  . It is also related to or classified as organic heterobicyclic compound .
The molecule CC1(C(=NC2=C(N1)N=C(NC2=O)N)CO)C is a dihydropterin that is 2-amino-6-hydroxymethyl-7,8-dihydropteridin-4-one with two methyl substituents at position 7. It has a role as a metabolite. It derives from a 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-one.
The molecule C1(=CC=C(C=C1)C(NC2=CC=C(C=C2C(=O)NC=3C=CC(=CN3)Cl)OC)=O)C(N(C)C)=N C1(=CC=C(C=C1)C(NC2=CC=C(C=C2C(=O)NC=3C=CC(=CN3)Cl)OC)=O)C(N(C)C)=N is A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade. It has the role of anticoagulant . It has the role of EC 3.4.21.6 (coagulation factor Xa) inhibitor . It is also related to or classified as secondary carboxamide  .    It is also related to or classified as monochloropyridine  . It is also related to or classified as benzamides , guanidines , monomethoxybenzene .
The molecule C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO is N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as pyrazines .
The molecule NC(CC(=O)c1ccccc1N)C(O)=O NC(CC(=O)c1ccccc1N)C(O)=O is A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. It has the role of human metabolite . It is a conjugate acid of kynureninate . It is also related to or classified as substituted aniline , aromatic ketone , non-proteinogenic alpha-amino acid .
The molecule C(C(C(C(C(=O)CO)O)O)O)O is a ketohexose often involved in the commercial production of vitamin C. It has been found to occur naturally in grapes. It has a role as a plant metabolite.
The molecule O=C1NC(=O)[C@H]([C@@]1(O)C(=O)[C@@H](NC(=O)C[C@H](NC(=O)/C=C/C=C/C=C/C)C2=CC=CC=C2)C(C)C)C O=C1NC(=O)[C@H]([C@@]1(O)C(=O)[C@@H](NC(=O)C[C@H](NC(=O)/C=C/C=C/C=C/C)C2=CC=CC=C2)C(C)C)C is Moiramide C. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC [H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC is vindesine. It has the role of antineoplastic agent . Its functional parent is vincaleukoblastine . It is also related to or classified as primary carboxamide  . It is also related to or classified as methyl ester  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as vinca alkaloid , organic heterotetracyclic compound , organic heteropentacyclic compound , tertiary amino compound .
The molecule CC1=C(NC(=O)NC1=O)CC(CO)CO is a pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 1,3-dihydroxyisobutyl group. It derives from a thymine.
The molecule O[C@@H](C/C=C\CCCCCCCC(O)=O)CC/C=C\CC O[C@@H](C/C=C\CCCCCCCC(O)=O)CC/C=C\CC is 12R-HODE. It is also related to or classified as hydroxy fatty acid , octadecadienoic acid .
The molecule COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O is fagaronine. It has the role of mutagen . It is also related to or classified as benzophenanthridine alkaloid .
The molecule CC(=O)Oc1ccccc1C([O-])=O CC(=O)Oc1ccccc1C([O-])=O is A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. Its functional parent is salicylate . It is also related to or classified as benzoates .
The molecule CC1=CCC(C2=CCC(CO)CC2)C1(C)C CC1=CCC(C2=CCC(CO)CC2)C1(C)C is [4-(2,2,3-trimethylcyclopent-3-enyl)cyclohex-3-enyl]methanol. It has the role of fragrance . It is also related to or classified as primary alcohol  . It is also related to or classified as cyclohexenylalkanol  .
The molecule OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A maltose that has beta-configuration at the reducing end anomeric centre. It has the role of geroprotector . It is also related to or classified as maltose  .
The molecule C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO is N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as pyrazines .
The molecule CCCCCCCCCCCCCCC(CO)O is a glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2. It derives from a hydride of a hexadecane.