anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-) . It is also related to or classified as diadenosyl tetraphosphate .
The molecule O1[C@@H](CC(=O)C=2C1=C(C(O)=C(C2OC)C)C=O)C3=CC=CC=C3 O1[C@@H](CC(=O)C=2C1=C(C(O)=C(C2OC)C)C=O)C3=CC=CC=C3 is Desmosflavanone II. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(=C)[C@@H](CCC(=O)C)CC(=O)[O-] is an optically active form of 3-isopropenyl-6-oxoheptanoate having (3S)-configuration. It derives from a (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one and a (4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one. It is a conjugate base of a (3S)-3-isopropenyl-6-oxoheptanoic acid. It is an enantiomer of a (3R)-3-isopropenyl-6-oxoheptanoate.
The molecule CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=CC(=C3)C(C)(C)C=C)O)C is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 2', a prenyl group at position 8 and a dimethylallyl group at position 5'. Isolated from Dalea boliviana, it exhibits inhibitory activity against tyrosinase. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite.
The molecule C1=CC=C(C=C1)CC(CC(=O)[O-])C(=O)[O-] is a dicarboxylic acid dianion that is the conjugate base of 2-benzylsuccinic acid. It has a role as a bacterial xenobiotic metabolite. It derives from a succinate(2-). It is a conjugate base of a 2-benzylsuccinic acid.
The molecule C(CCCCCCC(=O)O)CCCCCCO is an omega-hydroxy-long-chain fatty acid that is myristic (tetradecanoic) acid substituted at position 14 by a hydroxy group. It derives from a tetradecanoic acid. It is a conjugate acid of a 14-hydroxymyristate.
The molecule C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O is a beta-D-glucoside resulting from the formal condensation the tertiary allylic hydroxy group of steviol with beta-D-glucopyranose. It is a beta-D-glucoside, a monocarboxylic acid, a tetracyclic diterpenoid, a bridged compound, an ent-kaurane diterpenoid and a diterpene glycoside. It derives from a steviol. It is a conjugate acid of a steviolmonoside(1-).
The molecule CC(=O)CC(=O)CCC(=O)O is a dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia. It has a role as a human metabolite. It is a beta-diketone and a dioxo monocarboxylic acid.
The molecule CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N is the L-valinyl ester of ganciclovir, into which it is rapidly converted by intestinal and hepatic esterases. It is a synthetic analogue of 2'-deoxyguanosine. It has a role as a prodrug and an antiviral drug. It is a member of purines and a L-valyl ester. It derives from a guanine and a ganciclovir.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O)O)O)NC(=O)C)O is an amino oligosaccharide that is a branched pentadecasaccharide derivative comprising N-glycoloylneuraminic acid, D-galactose, N-acetyl-D-glucosamine and D-mannoseD residues linked as shown. It constitutes the N-glycan moiety in bovine thyroglobulin. It is an amino oligosaccharide, a glucosamine oligosaccharide and a N-glycan derivative.
The molecule C([C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])O)O is a glycerol 1-phosphoserine(1-) in which the glycero portion has R-configuration and the serine moiety has L-configuration. It is a glycerol 1-phosphoserine(1-) and a sn-glycerophosphodiester(1-). It is a conjugate base of a sn-glycero-3-phosphoserine.
The molecule CC1=C(OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)O is a member of 1-benzofurans, an aromatic ether and a polyphenol. It has a role as a metabolite, an anti-inflammatory agent and a plant metabolite.
The molecule CC(=O)C12N\C(=C/C3=NC(C[C@]4(C)N=C(CC5=NC1=C(CC([O-])=O)[C@@]5(C)CCC([O-])=O)C(CCC([O-])=O)=C4CC([O-])=O)=C(CCC([O-])=O)[C@]3(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O CC(=O)C12N\C(=C/C3=NC(C[C@]4(C)N=C(CC5=NC1=C(CC([O-])=O)[C@@]5(C)CCC([O-])=O)C(CCC([O-])=O)=C4CC([O-])=O)=C(CCC([O-])=O)[C@]3(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O is octacarboxylate anion of precorrin-5. It is also related to or classified as precorrin carboxylic acid anion .
The molecule CC1C23C4=C([C@@](C(=N4)/C=C\\5/C(=C([C@@]([N-]5)(CC6=C([C@](C(=N6)/C=C(\\[N-]2)/[C@H]([C@@]3(CC(=O)O1)C)CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])(C)CCC(=O)[O-])CC(=O)[O-].[Co] is a precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-5A; major species at pH 7.3. It is a conjugate base of a cobalt-precorrin-5A.
The molecule C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)N)N=C(C(=O)O)N is an amino cyclitol glycoside that is isolated from Streptomyces kasugaensis and exhibits antibiotic and fungicidal properties. It has a role as a bacterial metabolite, a protein synthesis inhibitor and an antifungal agrochemical. It is an amino cyclitol glycoside, an aminoglycoside antibiotic, a monosaccharide derivative, a carboxamidine and an antibiotic fungicide.
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O is a purine ribonucleoside 5'-diphosphate having xanthosine as the nucleobase. It has a role as an Escherichia coli metabolite. It is a xanthosine 5'-phosphate and a purine ribonucleoside 5'-diphosphate. It is a conjugate acid of a XDP(3-).
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)CO[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)CO[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is an alpha-L-Fucp-(1->6)-D-Glcp in which the carbon bearing the anomeric hydroxy group has alpha configuration. Its functional parent is alpha-D-glucose . Its functional parent is alpha-L-fucose . It is also related to or classified as alpha-L-Fucp-(1->6)-D-Glcp  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O)CO)CO)O)NC(=O)C)CO)O)O)O)O)O is a branched amino hexasaccharide in which an alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine linear pentasaccharide carries at the galactose residue proximal to the reducing end a second alpha-L-fucosyl residue via a (1->2) linkage. It is an amino sugar and an amino hexasaccharide.
The molecule [H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)c2ccc(O)cc2O[C@]1([H])c1ccc(O)c(O)c1 [H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)c2ccc(O)cc2O[C@]1([H])c1ccc(O)c(O)c1 is A flavanone glycoside that consists of fustin attached to a beta-D-galactosyl moiety at position 3 via a glycosidic linkage. Its functional parent is fustin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as trihydroxyflavanone , 3'-hydroxyflavanones , monosaccharide derivative , flavanone glycoside .
The molecule S1C(=NC(=C1)C(=O)OC)C(NC(=O)C(NC(C=C)(C)C)CC)C(CC)C S1C(=NC(=C1)C(=O)OC)C(NC(=O)C(NC(C=C)(C)C)CC)C(CC)C is Viridisamide A. It is also related to or classified as aromatic carboxylic acid , thiazoles .
The molecule CC1CCCCC1 CC1CCCCC1 is A cycloalkane that is cyclohexane substituted by a single methyl group. It has the role of aprotic solvent . It has the role of plant metabolite . It has the role of human metabolite .  It is also related to or classified as cycloalkane  . It is also related to or classified as volatile organic 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)C)NC([H])=O)O)O)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([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)C)NC([H])=O)O)O)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)OCCCCCC(OC)=O)O is A glycoside that consists of three N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3) and linked at the reducing end glycosidically to a 5-(methoxycarbonyl)pentyl group. Its functional parent is alpha-D-Rhap4NFo-(1->2)-alpha-D-Rhap4NFo-(1->3)-alpha-D-Rhap4NFo . 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 trisaccharide derivative .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[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)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CNC is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9R,10R)-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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(O)=CC3C)C([C@@]1(O)C(C(=O)C)(C)C)=O O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(O)=CC3C)C([C@@]1(O)C(C(=O)C)(C)C)=O is Sculezonone A. It is also related to or classified as ortho- and peri-fused tricyclic hydrocarbon .
The molecule O=P([O-])([O-])OCC1OC(N2C=NC=3C(S)=NC=NC32)C(O)C1O O=P([O-])([O-])OCC1OC(N2C=NC=3C(S)=NC=NC32)C(O)C1O is the ionised form of 6-Thioinosine-5'-monophosphate (Chebi:2332). It is also related to or classified as organic molecular entity .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)C)C(O)=O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)C)C(O)=O is A glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen is replaced by a p-tolyl group. It has the role of mouse metabolite . It has the role of rat metabolite . It is a conjugate acid of p-tolyl beta-D-glucuronide(1-) . It is also related to or classified as glucosiduronic acid .
The molecule CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)N is an L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of L-leucine with the amino group of 4-methoxy-2-naphthylamine. It has a role as a chromogenic compound. It is an amino acid amide, a L-leucine derivative, an aromatic amide, a member of naphthalenes and an aromatic ether.
The molecule FC(C(F)(F)F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c(F)c1Cl FC(C(F)(F)F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c(F)c1Cl is noviflumuron. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as aromatic ether , benzoylurea insecticide .
The molecule CC1CCC(C)CC1 CC1CCC(C)CC1 is A cycloalkane that is cyclohexane substituted by a methyl group at positions 1 and 4. It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as cycloalkane  .
The molecule C(\[C@H]1[C@@H](CC([C@@H]1C/C=C\CCCC(OC(CO)CO)=O)=O)O)=C/[C@H](CCCCC)O C(\[C@H]1[C@@H](CC([C@@H]1C/C=C\CCCC(OC(CO)CO)=O)=O)O)=C/[C@H](CCCCC)O is A 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin E2 with the 2-hydroxy group of glycerol. It has the role of human metabolite . Its functional parent is prostaglandin E2 . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as 2-monoglyceride  . It is also related to or classified as prostaglandins E  . It is also related to or classified as tetrol , alicyclic ketone .
The molecule [H]C(F)(F)F [H]C(F)(F)F is fluoroform. It has the role of refrigerant . It is also related to or classified as fluoromethanes .
The molecule C1CNNC1 C1CNNC1 is an azacycloalkane that is the 1,2-diaza derivative of cyclopentane. It is also related to or classified as saturated organic heteromonocyclic parent , azacycloalkane , pyrazolidines .
The molecule O=C1C=2C(=CC(C1(OC(=O)C)C)=O)[C@H](OC(=O)/C=C/C=C/C=C/CCC)[C@]3(O[C@H](CC[C@H]3OC(=O)CCC(=O)O)C)OC2 O=C1C=2C(=CC(C1(OC(=O)C)C)=O)[C@H](OC(=O)/C=C/C=C/C=C/CCC)[C@]3(O[C@H](CC[C@H]3OC(=O)CCC(=O)O)C)OC2 is Decipinin A. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)C)C([O-])=O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)C)C([O-])=O is A carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy group of p-tolyl beta-D-glucuronide. It has the role of mouse metabolite . It has the role of rat metabolite . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule C/C(=C(\\CC(=O)O)/C(=O)O)/C(=O)O is a tricarboxylic acid comprising (Z)-but-2-ene having the three carboxy groups at the 1-, 2- and 3-positions. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a (Z)-but-2-ene-1,2,3-tricarboxylate.
The molecule [Fr-] [Fr-] is francide. It is also related to or classified as monoatomic monoanion  . It is also related to or classified as francium molecular entity .
The molecule C(CCC)(=O)NCCCCN C(CCC)(=O)NCCCCN is N-butyrylputrescine. Its functional parent is putrescine . It is also related to or classified as secondary carboxamide  . It is also related to or classified as primary amino compound .
The molecule [C@](=C(\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12[C@@](C[C@H](CC1(C)C)O)(O2)C)/C)/C)\C)\C)[H])=C3C(C[C@H](O)C[C@@]3(C)O)(C)C [C@](=C(\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12[C@@](C[C@H](CC1(C)C)O)(O2)C)/C)/C)\C)\C)[H])=C3C(C[C@H](O)C[C@@]3(C)O)(C)C is A neoxanthin in which all of the double bonds have trans geometry. It has the role of biological pigment . It has the role of plant metabolite . It is also related to or classified as neoxanthin  .
The molecule O=C(O)[C@@H](N)C[N+]([O-])=NO O=C(O)[C@@H](N)C[N+]([O-])=NO is L-alanosine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O[C@@H](C/C=C\CCCCC)\C=C\CCCCCCC(O)=O O[C@@H](C/C=C\CCCCC)\C=C\CCCCCCC(O)=O is 10S-HODE. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
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)C)NC([H])=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)C)NC([H])=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 four 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. Its functional parent is alpha-D-Rhap4NFo-(1->2)-alpha-D-Rhap4NFo-(1->3)-alpha-D-Rhap4NFo-(1->2)-alpha-D-Rhap4NFo . 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](C(=O)[O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(NC3=O)N)O)O is the trianion obtained by removal of protons from the carboxylic acid and phosphate groups of L-lactyl-2-diphospho-5'-guanosine. It is a carboxylic acid trianion and an organophosphate oxoanion. It is a conjugate base of a L-lactyl-2-diphospho-5'-guanosine.
The molecule O=C1O[C@](C(=O)OC)(CC2=C(O)C(=C(OC)C=C2)CC=C(C)C)C(=C1O)C3=CC=C(O)C=C3 O=C1O[C@](C(=O)OC)(CC2=C(O)C(=C(OC)C=C2)CC=C(C)C)C(=C1O)C3=CC=C(O)C=C3 is Terrephenol B. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule NCC(O)CCC(N)C(O)=O NCC(O)CCC(N)C(O)=O is A hydroxylysine that is lysine substituted by a hydroxy group at position 5. It is a conjugate acid of 5-hydroxylysinate . It is also related to or classified as hydroxylysine .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\\CCCCCC is a 1,2-diacyl-sn-glycerol with myristoyl and palmitoleoyl as 1- and 2-acyl groups respectively. It has a role as a mouse metabolite. It is a 1,2-diacyl-sn-glycerol and a tetradecanoate ester. It derives from a palmitoleic acid.
The molecule O[C@@H]1COC(OC[C@H]2OC(Oc3c(oc4ccccc4c3=O)-c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O O[C@@H]1COC(OC[C@H]2OC(Oc3c(oc4ccccc4c3=O)-c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O is A glycosyloxyflavone that consists of flavonol attached to a D-xylosyl-D-glucosyl residue at position 3 via a glycosidic linkage. Its functional parent is flavonol . It is also related to or classified as xylosylglucoside  . It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as disaccharide derivative .
The molecule O=C1C2=C(O)C3=C(C4=C(O)C(=C(C)C=C4[C@@H](C3)O)C(=O)O)C(=C2C(=O)C=5C1=C(O)C=C(O)C5)O O=C1C2=C(O)C3=C(C4=C(O)C(=C(C)C=C4[C@@H](C3)O)C(=O)O)C(=C2C(=O)C=5C1=C(O)C=C(O)C5)O is Pradimicin Q. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O=S(=O)(N1CCC[NH2+]CC1)C1=CC=CC2=C1C=CN=C2 O=S(=O)(N1CCC[NH2+]CC1)C1=CC=CC2=C1C=CN=C2 is A secondary ammonium ion that is the conjugate acid of fasudil arising from the protonation of the diazepane ring; major species at pH 7.3. It is a conjugate acid of fasudil . It is also related to or classified as secondary ammonium ion  .
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)C4CCCCC4 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)C4CCCCC4 is N-[(3R,9R,10S)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)C(C)C(C)C CC(C)C(C)C(C)C is an alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline. It has the role of nephrotoxic agent . It has the role of mammalian metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule O(P(OP(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=O)C)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C O(P(OP(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=O)C)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C is an organophosphate oxoanion obtained by deprotonation of both free diphosphate OH groups of alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C([C@@H]([C@@H](CO)O)O)C(=O)CO is a deoxyketohexose that is keto-D-fructose that is lacking the hydroxy group at position 3. A metabolite of 3-deoxyglucosone, a dicarbonyl sugar synthesised through the Maillard reaction. It is a hexanone, an alpha-hydroxy ketone, a deoxyketohexose and a beta-hydroxy ketone.
The molecule O=C1N2C(N=C3[C@]1(OC)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)C(C)C O=C1N2C(N=C3[C@]1(OC)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)C(C)C is Oxepinamide G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=O)(C([NH3+])CCC(C[NH3+])O)[O-] C(=O)(C([NH3+])CCC(C[NH3+])O)[O-] is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the two amino groups of 5-hydroxylysine. It is a conjugate acid of 5-hydroxylysine . It is also related to or classified as alpha-amino-acid cation .
The molecule C([C@H](C(=O)O)O)O is the D-enantiomer of glyceric acid. It is a conjugate acid of a D-glycerate. It is an enantiomer of a L-glyceric acid.
The molecule CC1=CC2=C(C=CC=C2N1C3=NC=4CCOCC4/C(=N/CC5=CC=CC=C5)/N3)C(=N)O CC1=CC2=C(C=CC=C2N1C3=NC=4CCOCC4/C(=N/CC5=CC=CC=C5)/N3)C(=N)O is CB-5083. It has the role of inhibitor . It is also related to or classified as organic molecular entity .
The molecule OC=1C=C(/C=C/C(=O)NC=2C(=CC=CC2)C(O)=O)C=CC1O OC=1C=C(/C=C/C(=O)NC=2C(=CC=CC2)C(O)=O)C=CC1O is Avenanthramide 1c. It is also related to or classified as alkaloid  . It is also related to or classified as benzamides .
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H](CCCCO1)C)[C@H](C)CO)C is 4-(dimethylamino)-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(P(OP(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC(=O)C)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C O(P(OP(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC(=O)C)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol. Major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H]4OC(C)(C)OC4(C)C)NC2C(C=C)(C)C)C O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H]4OC(C)(C)OC4(C)C)NC2C(C=C)(C)C)C is Variecolorin D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(C(C)C)(=O)NCCCCN C(C(C)C)(=O)NCCCCN is N-isobutyrylputrescine. Its functional parent is putrescine . It is also related to or classified as secondary carboxamide  . It is also related to or classified as primary amino compound .