anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)N OC1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)N is A hexosamine that is D-talose in which the 2-hydroxy group has been replaced by an amino group. It is also related to or classified as hexosamine  .
The molecule CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4 is a pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor. It has a role as a HIV protease inhibitor and an antiviral drug.
The molecule COc1c2OCOc2cc2occ(-c3ccccc3O)c(=O)c12 COc1c2OCOc2cc2occ(-c3ccccc3O)c(=O)c12 is A hydroxyisoflavone that is isoflavone substituted by a hydroxy group at position 2', a methoxy group at position 5 and a methylenedioxy group across positions 6 and 7 respectively. It has the role of plant metabolite . Its functional parent is isoflavone . It is also related to or classified as hydroxyisoflavone , methoxyisoflavone .
The molecule S(O[C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)O[C@@H]([C@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)O[C@@H]([C@@H](O)[C@@H]3O)CO)O[C@@H]2CO)O[C@@H]1CO)(O)(=O)=O S(O[C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)O[C@@H]([C@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)O[C@@H]([C@@H](O)[C@@H]3O)CO)O[C@@H]2CO)O[C@@H]1CO)(O)(=O)=O is [(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H]\C(CCN(C)C)=C1/c2ccccc2Sc2ccc(Cl)cc12 [H]\C(CCN(C)C)=C1/c2ccccc2Sc2ccc(Cl)cc12 is A chlorprothixene in which the double bond adopts a (Z)-configuration. It is also related to or classified as chlorprothixene  .
The molecule S([C@]12N(C(=O)[C@@]3(SC)C[C@H]4[C@@H](N3C1=O)[C@H](O)CCC4=O)[C@H]5[C@H](O)CCC([C@H]5C2)=O)C S([C@]12N(C(=O)[C@@]3(SC)C[C@H]4[C@@H](N3C1=O)[C@H](O)CCC4=O)[C@H]5[C@H](O)CCC([C@H]5C2)=O)C is Ent-epicoccin G (2). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12 CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12 is A chlorprothixene in which the double bond adopts an (E)-configuration. It is also related to or classified as chlorprothixene  .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-D-GalpNAc in which the configuration at the GalNAc anomeric carbon is alpha. It has the role of epitope . It is also related to or classified as alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-D-GalpNAc  .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@H]([C@H](CO)NC(=O)C)[C@H]([C@@H](CO)O)O)CO)O)O is a glycosyl alditol derivative that is N-acetyl-D-galactosaminitol in which the hydroxy group at position 3 has been converted into the corresponding 2-acetamido-2-deoxy-alpha-D-galactopyranosyl derivative. It derives from a N-acetyl-D-galactosaminitol and a N-acetyl-alpha-D-galactosamine.
The molecule O=C1O[C@@H]([C@@H](C)C=2C1=C(O)C(=CC2)/C=C/C(=O)O)C O=C1O[C@@H]([C@@H](C)C=2C1=C(O)C(=CC2)/C=C/C(=O)O)C is Pestalotiopisorin A. Its functional parent is 4-coumaric acid . It is also related to or classified as hydroxycinnamic acid .
The molecule [H][O+]=O [H][O+]=O is hydridodioxygen(1+). It is a conjugate acid of dioxygen . It is also related to or classified as oxygen hydride .
The molecule C(=C\C=C\[C@H](CCCCC)O)\C=C\[C@H](C/C=C\CCCC(O)=O)O C(=C\C=C\[C@H](CCCCC)O)\C=C\[C@H](C/C=C\CCCC(O)=O)O is ab 8,15-DiHETE that is derived from (5Z,9E,11Z,13E)-icosatetraenoic acid and has (8S,15S)-stereochemistry. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is arachidonic acid . It is a conjugate acid of 8(S),15(S)-DiHETE(1-) . It is also related to or classified as 8,15-DiHETE  .
The molecule C(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)O)O)C(=O)O is an octasaccharide derivative that is gamma-cyclodextrin in which all eight primary hydroxy groups are replaced by 2-(carboxyethyl)sulfanyl groups. Used (as the octasodium salt) for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery. It has a role as a neuromuscular agent. It is an octasaccharide derivative and an organic sulfide. It derives from a gamma-cyclodextrin. It is a conjugate acid of a sugammadex(8-).
The molecule OC(=O)C\[As]=[As]\CC(O)=O OC(=O)C\[As]=[As]\CC(O)=O is arsenoacetic acid. It has the role of xenobiotic . Its functional parent is acetic acid . It is also related to or classified as organoarsenic compound .
The molecule OC(=O)\C=C/C(=CC(O)=O)/C=C\C(O)=O OC(=O)\C=C/C(=CC(O)=O)/C=C\C(O)=O is 3-(2-carboxyethenyl)-cis,cis-muconic acid. It is a conjugate acid of 3-(2-carboxylatoethenyl)-cis,cis-muconate(3-) . It is also related to or classified as tricarboxylic acid .
The molecule CCSCCC(C(=O)O)N is a non-proteinogenic alpha-amino acid that is methionine in which the S-methyl group is replaced by an S-ethyl group. It is an organic sulfide and a non-proteinogenic alpha-amino acid.
The molecule COc1cc2CCn3c(cc4c(cncc4c3=O)[C@@H](C)O)-c2cc1O COc1cc2CCn3c(cc4c(cncc4c3=O)[C@@H](C)O)-c2cc1O is A member of the class of isoquinolinonaphthyridines that is 5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one bearing additional hydroxy, methoxy and 1-hydroxyethyl substituents at positions 2, 3 and 12. It is also related to or classified as alkaloid  . It is also related to or classified as phenols  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as isoquinolinonaphthyridine  . It is also related to or classified as aromatic ether , benzopyridoquinolizidine derivative .
The molecule OC(=O)CCc1cccc(O)c1O OC(=O)CCc1cccc(O)c1O is A monocarboxylic acid that is propionic acid carrying a 2,3-dihydroxyphenyl substituent at C-3; a microbial metabolite of quinoline. It has the role of metabolite . Its functional parent is propionic acid . It is a conjugate acid of 3-(2,3-dihydroxyphenyl)propanoate . It is also related to or classified as (dihydroxyphenyl)propanoic acid .
The molecule OCCN(CCO)CCS([O-])(=O)=O OCCN(CCO)CCS([O-])(=O)=O is 2-[bis(2-hydroxyethyl)amino]ethanesulfonate.  It is also related to or classified as 1,1-diunsubstituted alkanesulfonate  . It is also related to or classified as BES .
The molecule CCN(C1=CN(N=C1Cl)C2=CN=CC=C2)C(=O)CCSCCC(F)(F)F is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 4 by a pyridin-3-yl group, chloro group and an ethyl{3-[(3,3,3-trifluoropropyl)sulfanyl]propanoyl}nitrilo group, respectively. It is an insecticide from Dow AgroSciences LLC. It has a role as an insecticide. It is an organofluorine compound, a member of pyrazoles, a member of pyridines, a tertiary carboxamide, an organic sulfide and an organochlorine compound.
The molecule O=C/1N2[C@H](C(=O)N(\C1=C/C3=CC=CC=C3)C)CCC2 O=C/1N2[C@H](C(=O)N(\C1=C/C3=CC=CC=C3)C)CCC2 is 3-benzylidene-2-methylhexahydropyrrolo [1,2-a] pyrazine-1,4-dione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C12=C(C=C(S(N)(=O)=O)C(=C1)Cl)S(NC(N2)CC=3C=CC=CC3)(=O)=O C12=C(C=C(S(N)(=O)=O)C(=C1)Cl)S(NC(N2)CC=3C=CC=CC3)(=O)=O is Benzylhydrochlorothiazide.  It is also related to or classified as sulfonamide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as benzenes , benzothiadiazine , secondary amino compound .
The molecule C(=C\C=C\[C@H](CCCCC)O)\C=C\[C@H](C/C=C\CCCC([O-])=O)O C(=C\C=C\[C@H](CCCCC)O)\C=C\[C@H](C/C=C\CCCC([O-])=O)O is A DiHETE(1-) that is the conjugate base of 8(S),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as dihydroxyicosatetraenoate  . It is also related to or classified as long-chain fatty acid anion  .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C is a cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid. It has a role as a mouse metabolite. It derives from an octadecanoic acid.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C is Quercetin 7-(6''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@](C)(O)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)NC(C)=O [H][C@](C)(O)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)NC(C)=O is A sphingomyelin in which the total number of carbons in the sphingoid base (R1) and fatty acyl (R2) groups is 33 with 1 double bond. It has the role of metabolite . It is also related to or classified as sphingomyelin  .
The molecule CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O is A semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance. It has the role of antibacterial drug . It is also related to or classified as cephalosporin  .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[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](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[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 octasaccharide consisting of a beta-D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage and an alpha-L-Fuc residue attached via an alpha-(1->6)-linkage. It is also related to or classified as beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-D-GlcpNAc  . It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide , amino sugar .
The molecule CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO is a thiamine. It has a role as a water-soluble vitamin, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate base of a thiamine(2+).
The molecule O=C1[C@]2([C@](OCC1)(C=C[C@@H]3[C@@H]2C(=O)C[C@H](C)C3)C)C O=C1[C@]2([C@](OCC1)(C=C[C@@H]3[C@@H]2C(=O)C[C@H](C)C3)C)C is Isoversiol E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CN(C)C is 4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1ccc(=O)[nH]c1=O O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1ccc(=O)[nH]c1=O is A 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyuridine 5'-monophosphate (dUMP); 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 pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-)  . It is also related to or classified as 2'-deoxynucleoside 5'-monophosphate(2-)  .
The molecule CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C(N=CN=C21)N is eHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase. It has a role as an EC 3.5.4.4 (adenosine deaminase) inhibitor and an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor. It is a conjugate base of a (2R,3S)-EHNA(1+). It is an enantiomer of a (2S,3R)-EHNA.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CNC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CNC is N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C2=C1C(C=C(C2=O)O)=O)O C1=CC=C(C2=C1C(C=C(C2=O)O)=O)O is A hydroxyquinone that is the 2,8-dihydroxy derivative of 1,4-naphthoquinone. It is a conjugate acid of 8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate . It is also related to or classified as hydroxy-1,4-naphthoquinone .
The molecule C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC(=C4)Br)O)N=O is a member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a ketoxime, an organobromine compound, a member of oxindoles and a biindole.
The molecule C1=C(N=C[N-]1)C[C@H](C(=O)[O-])N is the D-enantiomer of histidinate(2-). It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a D-histidinate(1-). It is an enantiomer of a L-histidinate(2-).
The molecule O=C1[C@]2([C@](OCC1)(C=C[C@@]3([C@@H]2[C@@H](O)C[C@@H](C3)C)O)C)C O=C1[C@]2([C@](OCC1)(C=C[C@@]3([C@@H]2[C@@H](O)C[C@@H](C3)C)O)C)C is Isoversiol D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [O] [O] is oxygen atom. It has the role of macronutrient . It is also related to or classified as nonmetal atom  . It is also related to or classified as chalcogen  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O is a branched amino tetrasaccharide consisting of a beta-D-galactose residue (1->3)-linked to the reducing-end GalNAc residue of a linear chain of beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-D-galactosamine residues linked (1->4) and (1->6) respectively. It has a role as an epitope. It is an amino tetrasaccharide, a glucosamine oligosaccharide and a galactosamine oligosaccharide.
The molecule O=C(O)C[C@@H](OC)CCCCCCCCCCCCCCCCCCCCC O=C(O)C[C@@H](OC)CCCCCCCCCCCCCCCCCCCCC is 3-Methoxytetracosanoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 is N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule NC(=O)CN(CC([O-])=O)CC([O-])=O NC(=O)CN(CC([O-])=O)CC([O-])=O is 2,2'-[(2-amino-2-oxoethyl)imino]diacetate(2-). It is a conjugate acid of 2,2'-[(2-azanidyl-2-oxoethyl)imino]diacetate(3-) . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as ADA .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O is alpha-Neup5Gc-(2->6)-D-GalpNAc in which the anomeric configuration at the reducing end is alpha. It has a role as an epitope.
The molecule C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 is A positively charged methylguanosine in which a single methyl substituent is located at position 7. It has the role of metabolite . It is also related to or classified as methylguanosine , organic cation .
The molecule O(C1=CC(O)=C(C=C1)C(=O)C(O)=O)C O(C1=CC(O)=C(C=C1)C(=O)C(O)=O)C is 2-(2-hydroxy-4-methoxyphenyl)-2-oxoacetic acid. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1[C@@H]([C@@H]([C@H](C(O1)O)OP(=O)(O)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O is a member of the class of agrocinopines that consists of beta-D-fructose and L-arabinose units joined via a phosphodiester linkage between position 4 of fructose and position 2 of arabinose. It has a role as a plant metabolite. It derives from a beta-D-fructofuranose and a L-arabinopyranose.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O is an amino disaccharide consisting of and alpha-L-fucose residue and a 2-acetamido-2-deoxy-D-glucopyranose residue joined in sequence by a (1->4) glycosidic bond. Its functional parent is alpha-L-fucose . Its functional parent is N-acetyl-D-glucosamine . It is also related to or classified as acetamides , amino disaccharide .
The molecule N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O is A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring. It has the role of alkylating agent . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of carcinogenic agent . It has the role of drug allergen . It is also related to or classified as organochlorine compound  . It is also related to or classified as nitrogen mustard , non-proteinogenic L-alpha-amino acid , L-phenylalanine derivative .
The molecule CCCCCCCCCCCCCCC(C)O CCCCCCCCCCCCCCC(C)O is A secondary fatty alcohol that is hexadecane substituted by a hydroxy group at position 2. It has the role of antibacterial agent . It has the role of apoptosis inducer . It has the role of animal metabolite . It has the role of marine metabolite . It has the role of bacterial xenobiotic metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as hexadecanol .
The molecule C(CC/C=C\\CC1C(O1)C/C=C\\C/C=C\\CCCC(=O)[O-])CCO is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 20-hydroxy-11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, a hydroxy fatty acid anion, an icosanoid anion and a polyunsaturated fatty acid anion. It derives from an 11,12-EET(1-). It is a conjugate base of an 11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoic acid.
The molecule O=C1[C@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C(O)[C@@H](C3)C)C)C O=C1[C@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C(O)[C@@H](C3)C)C)C is Isoversiol C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
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 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 is N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1C[C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O)CO)O)O is an amino trisaccharide that is 2-acetamido-2-deoxy-beta-D-glucopyranose in which the hydroxy groups at positions 3 and 4 have been converted to the corresponding beta-D-galactopyranosyl and 4,6-dideoxy-alpha-L-xylo-hexopyranosyl derivatives, respectively. It is a member of acetamides and an amino trisaccharide. It derives from a beta-D-Galp-(1->3)-beta-D-GlcpNAc.
The molecule Oc1ccccc1-c1nc(-c2ccccc2O)n(n1)-c1ccccc1 Oc1ccccc1-c1nc(-c2ccccc2O)n(n1)-c1ccccc1 is A member of the class of  triazoles that is 1-phenyl-1H-1,2,4-triazole substituted by 2-hydroxyphenyl groups at positions 3 and 5. It is also related to or classified as phenols  . It is also related to or classified as triazoles .
The molecule O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)N2C(O)=C(N=C2)C(N)=O O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)N2C(O)=C(N=C2)C(N)=O is Mizoribine. It has the role of anticoronaviral agent . It is also related to or classified as imidazoles .
The molecule O=CC1=C(OC)C(=C(O)C=C1C=O)C O=CC1=C(OC)C(=C(O)C=C1C=O)C is Quadrilineatin. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CN1CC(=O)NC1=O is a imidazolidine-2,4-dione that is the N-methyl-derivative of hydantoin. It has a role as a bacterial metabolite. It derives from a hydantoin.
The molecule O=C1[C@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)C)C)C O=C1[C@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)C)C)C is Isoversiol B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .