anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=C([C@@]2([C@@H](C[C@@]2([C@@]3([C@]1(CC(C3)(C)C)[H])[H])C)OC(C4=C(C(=C(C=C4O)[O-])Cl)C)=O)O)CO C1=C([C@@]2([C@@H](C[C@@]2([C@@]3([C@]1(CC(C3)(C)C)[H])[H])C)OC(C4=C(C(=C(C=C4O)[O-])Cl)C)=O)O)CO is 6'-chloromelleolide F(1-). It is also related to or classified as sesquiterpene  . It is also related to or classified as dihydroxybenzoate  . It is also related to or classified as organochlorine compound  . It is also related to or classified as carbotricyclic compound .
The molecule [I] [I] is chemical element with atomic number 53. It has the role of micronutrient . It has the role of human metabolite . It is also related to or classified as halogen  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC is a phosphatidylcholine 26:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and octanoyl respectively. It derives from an octanoic acid and an octadecanoic acid.
The molecule O([C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](O)C(O[C@@H]1CO)O)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](O)C(O[C@@H]1CO)O)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A trisaccharide that is D-galactopyranose in which the hydroxy groups at positions 3 and 4 have been converted to the beta-D-glucopyranosyl and alpha-D-glucopyranosyl derivatives, respectively. It is also related to or classified as trisaccharide .
The molecule [C@]1(C([C-](C(C)=O)C(N1)=O)=O)([C@H](CC)C)[H] [C@]1(C([C-](C(C)=O)C(N1)=O)=O)([C@H](CC)C)[H] is an organic anion that is the carbanion obtained by removal of the acidic proton from position 3 of tenuazonic acid; major speies at pH 7.3. It is also related to or classified as organic anion .
The molecule O=C(OC1=C(OC(=O)C)C(=C2[C@H](OC)O[C@@H](C2=C1OC(=O)C)[C@@H]3OCC=4C3=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C4C)C)C O=C(OC1=C(OC(=O)C)C(=C2[C@H](OC)O[C@@H](C2=C1OC(=O)C)[C@@H]3OCC=4C3=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C4C)C)C is Spicarin D. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O=C1O[C@H](OC)[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@](C3=C1)(CCC5)C)C)=O O=C1O[C@H](OC)[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@](C3=C1)(CCC5)C)C)=O is Oidiolactone A. 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)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9R,10R)-16-(dimethylamino)-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-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)C)C=C4)COC6OC(C(O)C(O)C6O)C O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)C)C=C4)COC6OC(C(O)C(O)C6O)C is Isorhamnetin 3-rutinoside 4'-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1O[C@@H](OC[C@H]2OC(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](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](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2OC(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](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](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino hexasaccharide derivative that is beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the D-GlcNAc residue at the reducing end is substituted at position 6 by an alpha-L-Fuc residue. It is also related to or classified as glucosamine oligosaccharide , amino sugar , amino hexasaccharide .
The molecule CC1=C2N3[C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(O)=O)[C@]2(C)[N+]4=C([C@@H](CCC(N)=O)[C@]2(C)CC(N)=O)C(C)=C2[N+]5=C(C=C6[N+](=C1[C@@H](CCC(N)=O)C6(C)C)[Co--]345C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O CC1=C2N3[C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(O)=O)[C@]2(C)[N+]4=C([C@@H](CCC(N)=O)[C@]2(C)CC(N)=O)C(C)=C2[N+]5=C(C=C6[N+](=C1[C@@H](CCC(N)=O)C6(C)C)[Co--]345C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O is A cobalt corrinoid that is cobyric acid having a 5'-adenosyl group attached to the central cobalt atom. Its functional parent is cobyric acid . It is a conjugate acid of adenosylcobyrate . It is also related to or classified as cobalt corrinoid .
The molecule C[C@@H]1C(=O)C(=C[C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O is a nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-(2R,6S)-4-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-3(6H)-one; major species at pH 7.3. It derives from a dTDP-alpha-D-glucose(2-). It is a conjugate base of a dTDP-2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose.
The molecule C=12[C@H]([C@@](CC([O-])=O)(C)C=3[N+]1[Ni-2]45N6C(C3)=C(C(CCC([O-])=O)=C6C=C7[N+]5=C(C=C8N4C(=C2)[C@]([C@@H]8CCC([O-])=O)(CC([O-])=O)C)C(=C7CCC([O-])=O)CC([O-])=O)CC([O-])=O)CCC([O-])=O C=12[C@H]([C@@](CC([O-])=O)(C)C=3[N+]1[Ni-2]45N6C(C3)=C(C(CCC([O-])=O)=C6C=C7[N+]5=C(C=C8N4C(=C2)[C@]([C@@H]8CCC([O-])=O)(CC([O-])=O)C)C(=C7CCC([O-])=O)CC([O-])=O)CC([O-])=O)CCC([O-])=O is A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of nickel-sirohydrochlorin; major species at pH 7.3. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule O=C1C2=C(OC(=C1)C)O[C@@H]3[C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC[C@H]3C2)C O=C1C2=C(OC(=C1)C)O[C@@H]3[C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC[C@H]3C2)C is Penicillipyrone A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC2)O)O[C@@H]([C@H]1O)C(O)=O)(O)(=O)=O S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC2)O)O[C@@H]([C@H]1O)C(O)=O)(O)(=O)=O is A disaccharide sulfate consisting of 3-O-sulfo-beta-D-glucopyranuronic acid and beta-D-xylopyranose joined in sequence by a (1->4) glycosidic bond. Its functional parent is beta-D-xylose . It is also related to or classified as glucosiduronic acid , oligosaccharide sulfate , disaccharide derivative .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 is N-[(3R,9S,10R)-9-[[benzoyl(methyl)amino]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]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule NC(=S)Nc1ccc(Br)cc1 NC(=S)Nc1ccc(Br)cc1 is (4-bromophenyl)thiourea. Its functional parent is thiourea . It is also related to or classified as thioureas .
The molecule CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 is the S enantiomer of nomifensine. It is also related to or classified as nomifensine  .
The molecule C1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(C(C[C@@]4(C)[C@@]2([H])CCC4=O)=O)[H])[H] C1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(C(C[C@@]4(C)[C@@]2([H])CCC4=O)=O)[H])[H] is A 3-oxo Delta(4)-steroid that is androst-4-ene carrying three oxo-substituents at positions 3, 11 and 17. It has the role of EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor . It has the role of androgen . It has the role of marine metabolite . It has the role of human urinary metabolite . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 11-oxo steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as androstanoid .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O is a glycosyloxyflavone that is kaempferol attached to a alpha-L-arabinopyranosyl residue at position 3 and a alpha-L-rhamnopyranosyl residue at position 7 via glycosidic linkages. Isolated from the aerial parts of Vicia faba and Lotus edulis, it exhibits inhibitory activity against topoisomerase I and II. It has a role as a metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor and a plant metabolite. It is a glycosyloxyflavone, an alpha-L-rhamnoside, an alpha-L-arabinopyranoside and a dihydroxyflavone. It derives from a kaempferol.
The molecule O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](O)[C@H]2O)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](O)[C@H]2O)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C is an amino trisaccharide consisting of alpha-L-fucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose and 2-acetamido-2-deoxy-alpha-D-galactopyranose residues joined in sequence by (1->3) and (1->6) glycosidic bonds. It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .
The molecule C1=2NC(C=C3N=C(C=C4NC5=C(C6=NC(=C1)[C@H]([C@@H]6CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[C-](C(C5=C4C)=O)C(=O)OC)C(=C3C)CC)=C(C2C)C=C C1=2NC(C=C3N=C(C=C4NC5=C(C6=NC(=C1)[C@H]([C@@H]6CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[C-](C(C5=C4C)=O)C(=O)OC)C(=C3C)CC)=C(C2C)C=C is A cyclic tetrapyrrole anion that is the carbanion obtained by removal of the acidic proton from position 21 of pheophytin a. Major species at pH 7.3. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule O=C1OC(=CC=2C1=C(O)C3=C(C(=O)C4(OC)C(C3O)(O4)C56OC5(OC)C(=O)C=7C=C8C=C(C)OC(C8=C(C7C6O)O)=O)C2)C O=C1OC(=CC=2C1=C(O)C3=C(C(=O)C4(OC)C(C3O)(O4)C56OC5(OC)C(=O)C=7C=C8C=C(C)OC(C8=C(C7C6O)O)=O)C2)C is Xanthoepocin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](O)[C@H]1O is the 5'-selenonooxyphosphate ester of adenosine. It has the role of mouse metabolite . Its functional parent is adenosine . It is also related to or classified as adenosine 5'-phosphate .
The molecule C1=C(C=C(C(=C1O)O)O)[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)O is the (2S,3S)-stereoisomer of dihydromyricetin. It is a dihydromyricetin and a secondary alpha-hydroxy ketone. It is an enantiomer of a (+)-dihydromyricetin.
The molecule C1C2(CC3CC(CC1C3)C2)C4=C(C=CC(=C4)C5=CC=C6C(=C5)C=CC(=C6)C(=O)O)O C1C2(CC3CC(CC1C3)C2)C4=C(C=CC(=C4)C5=CC=C6C(=C5)C=CC(=C6)C(=O)O)O is A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells. It has the role of apoptosis inducer . It has the role of retinoic acid receptor gamma agonist .   It is also related to or classified as phenols  . It is also related to or classified as monocarboxylic acid , naphthoic acid , adamantanes .
The molecule O=C1C=2O[C@]3([C@H]([C@]4([C@@H](C(CCC4)(C)C)CC3)C)CC2C(=O)C=C1CO)C O=C1C=2O[C@]3([C@H]([C@]4([C@@H](C(CCC4)(C)C)CC3)C)CC2C(=O)C=C1CO)C is BE-40644. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1N[C@@](OC)(C(=O)NC1=CC=2C3=C(C=CC=C3)NC2)CO O=C1N[C@@](OC)(C(=O)NC1=CC=2C3=C(C=CC=C3)NC2)CO is Oidioperazine C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1C[C@H](c2ccccc2)c2cccc(N)c2C1 CN1C[C@H](c2ccccc2)c2cccc(N)c2C1 is the R enantiomer of nomifensine. It is also related to or classified as nomifensine  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OCCCN)CO)O)O is the organophosphate oxoanion formed by proton loss from the phospho group of 3-aminopropyl N-acetyl-alpha-D-glucosamine-1-phosphate. It is a conjugate base of a 3-aminopropyl N-acetyl-alpha-D-glucosamine-1-phosphate.
The molecule C1=CC=CC(=C1C(F)(F)F)C(C(C#N)(C(OCCOC)=O)C2=CC=C(C=C2)C(C)(C)C)=O C1=CC=CC(=C1C(F)(F)F)C(C(C#N)(C(OCCOC)=O)C2=CC=C(C=C2)C(C)(C)C)=O is A nitrile that is acetonitrile in which the methyl hydrogens have been replaced by o-trifluoromethylbenzoyl, p-tert-butylphenyl, and (2-methoxyethoxy)carbonyl groups. It is also related to or classified as 2-methoxyethyl ester  . It is also related to or classified as nitrile  . It is also related to or classified as beta-ketoester , (trifluoromethyl)benzenes .
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)CNC 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)CNC is N-[(3R,9R,10S)-12-[(2S)-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]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12CC=C(C)C[C@@]1([H])C2(C)C [H][C@]12CC=C(C)C[C@@]1([H])C2(C)C is A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has R configuration at position 1 and S configuration at position 6. It is also related to or classified as car-3-ene  .
The molecule O=C1O[C@H](CCCC(=O)[C@@H](O)[C@H](CC=CC2=C1C(O)=CC(=C2OC)OC)O)C O=C1O[C@H](CCCC(=O)[C@@H](O)[C@H](CC=CC2=C1C(O)=CC(=C2OC)OC)O)C is Hamigeromycin A. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule O([C@H]1[C@H](O)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]1CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@H]1[C@H](O)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]1CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A glucotriose that is alpha-D-glucopyranose in which the hydroxy groups at positions 2 and 4 have been converted to the corresponding alpha-D-glucopyranosyl and beta-D-glucopyranosyl derivatives, respectively. Its functional parent is alpha-cellobiose . Its functional parent is alpha-D-Glcp-(1->2)-alpha-D-Glcp . It is also related to or classified as glucotriose .
The molecule O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)CO)C4OCC(O)(C4O)COC(=O)/C=C/C5=CC=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=C5 O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)CO)C4OCC(O)(C4O)COC(=O)/C=C/C5=CC=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=C5 is 6-{4-[(1E)-3-({5-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl}methoxy)-3-oxoprop-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C is a steroid ester obtained by the formal condensation of the hydroxy group of phytosterol with acetic acid. It has been obtained from the mycelia of Cordyceps sinensis. It has a role as a fungal metabolite and a plant metabolite. It is a steroid ester and an acetate ester. It derives from a stigmasterol. It derives from a hydride of a stigmastane.
The molecule O1[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]3[C@@H](O)[C@H](OC(O)[C@@H]3O)CO)CO O1[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]3[C@@H](O)[C@H](OC(O)[C@@H]3O)CO)CO is A galactotriose consisting of beta-D-galactopyranose, alpha-D-galactopyranose and D-galactopyranose residues joined in sequence by (1->4) and (1->3) glycosidic bonds. Its functional parent is beta-D-Galp-(1->4)-alpha-D-Galp . Its functional parent is alpha-D-galactosyl-(1->3)-D-galactose . It is also related to or classified as galactotriose .
The molecule C1=CC=CC(=C1C(F)(F)F)C([C@](C#N)(C(OCCOC)=O)C2=CC=C(C=C2)C(C)(C)C)=O C1=CC=CC(=C1C(F)(F)F)C([C@](C#N)(C(OCCOC)=O)C2=CC=C(C=C2)C(C)(C)C)=O is A 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate that has S configuration. It is also related to or classified as 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate  .
The molecule C1[C@@H]2[C@@]([C@@]3([C@@](C1)(C([C@@H](C4=C(CC[C@](C4(C)C)([C@H]3O)[H])C)O)=O)C)[H])(O)CO2 C1[C@@H]2[C@@]([C@@]3([C@@](C1)(C([C@@H](C4=C(CC[C@](C4(C)C)([C@H]3O)[H])C)O)=O)C)[H])(O)CO2 is 2alpha,4alpha,10beta-trihydroxy-5beta,20-epoxytax-11-en-9-one. It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as oxetanes , taxane diterpenoid , tetracyclic diterpenoid .
The molecule O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCC4=CC=CC=C4)C O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCC4=CC=CC=C4)C is 3-O-2'-phenylethyl-4a,10a-dihydrofusarubin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@@]12CC=C(C)C[C@]1([H])C2(C)C [H][C@@]12CC=C(C)C[C@]1([H])C2(C)C is A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has S configuration at position 1 and R configuration at position 6. It is also related to or classified as car-3-ene  .
The molecule OCc1c[nH]c2ccccc12 OCc1c[nH]c2ccccc12 is an indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as indolyl alcohol .
The molecule CO/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-] is a fourth-generation cephalosporin antibiotic having 6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively. It is a cyclopentapyridine and a cephalosporin.
The molecule CC(=O)C1=C(C=C2CC3=C(C(=CC(=C3)O)O)C(=O)C2=C1O)/C=C(\\CC(=O)[O-])/O is a hydroxy monocarboxylic acid anion that is the conjugate base of tetracenomycin F2, obtained by deprotonation of the carboxy group. It is a hydroxy monocarboxylic acid anion and an oxo monocarboxylic acid anion. It is a conjugate base of a tetracenomycin F2. It is a conjugate acid of a tetracenomycin F2(2-).
The molecule C1=CC=CC(=C1C(F)(F)F)C([C@@](C#N)(C(OCCOC)=O)C2=CC=C(C=C2)C(C)(C)C)=O C1=CC=CC(=C1C(F)(F)F)C([C@@](C#N)(C(OCCOC)=O)C2=CC=C(C=C2)C(C)(C)C)=O is A 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate that has R configuration. It is also related to or classified as 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate  .
The molecule O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C)=CC(=C4C3O)O)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C)=CC(=C4C3O)O)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O is Ustilaginoidin P. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C(C(O)C(O)C(OC2OCC(O)C(O)C2O)C1OC=3C(=[O+]C=4C(C3)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)COC6OC(C(O)C(O)C6O)COC(=O)C7=CC=C(O)C=C7 O1C(C(O)C(O)C(OC2OCC(O)C(O)C2O)C1OC=3C(=[O+]C=4C(C3)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)COC6OC(C(O)C(O)C6O)COC(=O)C7=CC=C(O)C=C7 is Cyanidin 3-O-[b-D-Xylopyranosyl-(1->2)-[(4-hydroxybenzoyl)-(->6)-b-D-glucopyranosyl-(1->6)]-b-D-galactopyranoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=C(C=CC(=C1C)Cl)O C1=C(C=CC(=C1C)Cl)O is A hydroxytoluene that is 3-methylphenol which is substituted by a chlorine at position 4. A ryanodine receptor agonist. It has the role of antimicrobial agent . It has the role of disinfectant . It has the role of ryanodine receptor agonist . It is also related to or classified as hydroxytoluene  . It is also related to or classified as monochlorobenzenes .
The molecule O=C1N[C@](O)(C(=O)N[C@@]1(OC)C(C)C)CC=2C3=C(C=CC=C3)NC2 O=C1N[C@](O)(C(=O)N[C@@]1(OC)C(C)C)CC=2C3=C(C=CC=C3)NC2 is Polanrazine E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC1=CC=C(OCC2=CC=CC=C2)C=C1 OC1=CC=C(OCC2=CC=CC=C2)C=C1 is the monobenzyl ether of hydroquinone.  It is used as a topical drug for medical depigmentation. It has the role of dermatologic drug . It has the role of allergen . It has the role of melanin synthesis inhibitor . Its functional parent is hydroquinone . It is also related to or classified as benzyl ether .
The molecule [H]O[3H] [H]O[3H] is hydrogen tritium oxide.  It is also related to or classified as water  . It is also related to or classified as tritiated compound .
The molecule C(CO)C(CO)O is a triol that is butane carrying three hydroxy substituents at position 1, 2 and 4. It has a role as a bacterial xenobiotic metabolite and an Escherichia coli metabolite. It derives from a hydride of a butane.
The molecule CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F is a member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has a role as a mTOR inhibitor and an antineoplastic agent. It is a N-acylpiperazine, a N-arylpiperazine, an organofluorine compound, a pyridoquinoline and a member of quinolines.
The molecule C=1NC(=NC1C[C@@H](C([O-])=O)[N+](C)(C)C)SO C=1NC(=NC1C[C@@H](C([O-])=O)[N+](C)(C)C)SO is A L-histidine derivative that is ergothioneine in which the thiol hydrogen has been replaced by a hydroxy group. Its functional parent is ergothioneine .  It is also related to or classified as SO-thioperoxol  . It is also related to or classified as amino-acid betaine , L-histidine derivative .
The molecule O=C1C(C(=O)NC(=O)CC(C)C)=CNC(=C1)/C=C/CC/C=C/C=C/C(=O)O O=C1C(C(=O)NC(=O)CC(C)C)=CNC(=C1)/C=C/CC/C=C/C=C/C(=O)O is Poronitin B. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule Oc1ccc(cc1)C1CC(=O)c2ccccc2O1 Oc1ccc(cc1)C1CC(=O)c2ccccc2O1 is 4'-hydroxyflavanone. It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as monohydroxyflavanone .
The molecule [H][18O][H] [H][18O][H] is A form of water consisting of two hydrogen atoms covalently bonded to an oxygen-18 atom.  It is also related to or classified as water  . It is also related to or classified as isotopically modified compound .
The molecule C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N3C1=C(C)C1=[N+]4C(=CC5=[N+]6C(=C(C)C7=[N+]([C@]2(C)[C@@](C)(CC(N)=O)[C@@H]7CCC(N)=O)[Co--]346C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP(O)(O)=O C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N3C1=C(C)C1=[N+]4C(=CC5=[N+]6C(=C(C)C7=[N+]([C@]2(C)[C@@](C)(CC(N)=O)[C@@H]7CCC(N)=O)[Co--]346C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP(O)(O)=O is an O-phosphocorrinoid that is cobinamide phosphate having a 5'-adenosyl group attached to the central cobalt atom. It has the role of Escherichia coli metabolite . Its functional parent is cobinamide . It is a conjugate acid of adenosylcobinamide phosphate(1-) . It is also related to or classified as adenosines , O-phosphocorrinoid .