anonymous041/ChEBI-Augmented huggingface dataset:
The molecule N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)NCC(O)=O N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)NCC(O)=O is A dipeptide obtained by formal condensation of the carboxy group of 4-chloro-L-phenylalanine with the amino group of glycine. Its functional parent is glycine . Its functional parent is 4-chloro-L-phenylalanine . It is also related to or classified as dipeptide  . It is also related to or classified as monochlorobenzenes .
The molecule [H]C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO [H]C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO is the D-enantiomer of aldehydo-mannose. It is also related to or classified as D-mannose  . It is also related to or classified as aldehydo-mannose  .
The molecule [H]C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O [H]C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O is A tripeptide composed of L-Met, L-Leu and L-Phe in a linear sequence with a formyl group at the amino terminus. It acts as a potent inducer of leucocyte chemotaxis and macrophage activator as well as a ligand for the FPR receptor. Its functional parent is L-leucine . Its functional parent is N-formyl-L-methionine . Its functional parent is L-phenylalanine . It is a conjugate acid of N-formyl-L-methionyl-L-leucyl-L-phenylalaninate . It is also related to or classified as tripeptide  .
The molecule OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O is A D-gulopyranose with a beta-configuration at the anomeric position. It is also related to or classified as D-gulopyranose  .
The molecule [H]C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C([O-])=O [H]C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C([O-])=O is A peptide anion obtained by deprotonation of the carboxy group of N-formyl-L-methionyl-L-leucyl-L-phenylalanine; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule C(/C(=C(/[H])\C)/[NH3+])(=O)[O-] C(/C(=C(/[H])\C)/[NH3+])(=O)[O-] is major species at pH 7.3. It is also related to or classified as (S)-carnitinamide chloride  .
The molecule Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12 Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12 is A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group. It has the role of protein kinase agonist . Its functional parent is 3',5'-cyclic AMP .   It is also related to or classified as organochlorine compound  . It is also related to or classified as 3',5'-cyclic purine nucleotide , aryl sulfide , adenyl ribonucleotide .
The molecule NC(=N)NO NC(=N)NO is A member of the class of guanidines that is guanidine in which one of the hydrogens attached to the nitrogen at position 1 is substituted by a hydroxy group. It has the role of antiviral agent . It has the role of antineoplastic agent . Its functional parent is guanidine . Its functional parent is carbamimidoylazanium . It is also related to or classified as guanidines , one-carbon compound .
The molecule NC(=[NH2+])NO NC(=[NH2+])NO is A guanidinium ion that is the conjugate acid of N-hydroxyguanidine, resulting from the protonation of the imine nitrogen; Major species at pH 7.3. Its functional parent is guanidinium . It is a conjugate acid of N-hydroxyguanidine . It is also related to or classified as guanidinium ion  .
The molecule [NH3+]C(COP([O-])([O-])=O)C([O-])=O [NH3+]C(COP([O-])([O-])=O)C([O-])=O is an organophosphate oxoanion that is the dianionic form of O-phosphoserine having anionic phosphate and carboxy functions and a protonated amino group. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@H](OCCN)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@H](OCCN)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O is A synthetic alpha-D-glucoside that is a branched decasaccharide derivative consisting of alpha-L-rhamnosyl, N-acetyl-beta-D-glucosaminyl and alpha-D-glucosyl residues linked sequentially (1->3) and (1->4), to the alpha-D-glucosyl residue at the reducing end are also linked alpha-L-rhamnosyl and beta-D-glucosyl residues via (1->3) and (1->6) linkages respectively. An aminoethyl linker from the reducing-end Glc residue allows for efficient conjugation to a carrier protein. It has the role of antigen . It is also related to or classified as alpha-D-glucoside  .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OCCN)[C@@H]3OC(C)=O)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OCCN)[C@@H]3OC(C)=O)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O is A synthetic alpha-L-rhamnoside consisting of a linear trisaccharide of beta-D-glucosyl, beta-D-glucosyl and 2-O-acetyl-alpha-L-rhamnosyl residues linked sequentially (1->6) and (1->3), to the beta-D-glucosyl residue are also linked alpha-L-rhamnosyl and N-acetyl-beta-D-glucosaminyl residues via (1->3) and (1->6) linkages respectively. An aminoethyl linker from the reducing-end RhaNAc residue allows for efficient conjugation to a carrier protein. It has the role of antigen . It is also related to or classified as alpha-L-rhamnoside  .
The molecule OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O is A L-gulopyranose with a beta-configuration. It is also related to or classified as L-gulopyranose  .
The molecule CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)C1CC1)C=C(F)C=C2 CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)C1CC1)C=C(F)C=C2 is NNC 55-0396 (free base). It has the role of T-type calcium channel blocker . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of potassium channel blocker . It has the role of neuroprotective agent . It has the role of apoptosis inducer .   It is also related to or classified as organofluorine compound  . It is also related to or classified as benzimidazoles , tetralins , cyclopropanecarboxylate ester , tertiary amino compound .
The molecule Cl.Cl.CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)C1CC1)C=C(F)C=C2 Cl.Cl.CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)C1CC1)C=C(F)C=C2 is the dihydrochloride salt of NNC 55-0396. It is a stable analogue of mibefradil and a highly selective T-type calcium channel blocker. It has the role of T-type calcium channel blocker . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of potassium channel blocker . It has the role of neuroprotective agent . It has the role of apoptosis inducer . It is also related to or classified as hydrochloride .
The molecule O=C(OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)C([NH3+])CCS O=C(OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)C([NH3+])CCS is L-homocysteinyl-AMP  zwitterion. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as zwitterion  .
The molecule COC1=CC=C(C=C1OC)C1=NC2=C(N=CN2C2=CC=C(N3CCN(C)CC3)C(=C2)[N+]([O-])=O)C(=N1)C(N)=O COC1=CC=C(C=C1OC)C1=NC2=C(N=CN2C2=CC=C(N3CCN(C)CC3)C(=C2)[N+]([O-])=O)C(=N1)C(N)=O is A member of the clas of purines that is 9H-purine substituted by 3,4-dimethoxyphenyl, aminocarbonyl, and 4-(4-methylpiperazin-1-yl)-3-nitrophenyl groups at positions 2, 6 and 9, respectively. It is an inhibitor of EGFR and a potential anticancer agent. It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as primary carboxamide  . It is also related to or classified as purines , C-nitro compound , N-arylpiperazine , N-methylpiperazine , dimethoxybenzene .
The molecule [NH3+][C@H](COP([O-])([O-])=O)C([O-])=O [NH3+][C@H](COP([O-])([O-])=O)C([O-])=O is an O-phosphonatooxyserine(2-) that is the dianion of O-phospho-D-serine. It has the role of human metabolite . It is also related to or classified as O-phosphonatooxyserine(2-)  .
The molecule NC1=C(N=CN1C1=CC=C(N2CCOCC2)C(F)=C1)C#N NC1=C(N=CN1C1=CC=C(N2CCOCC2)C(F)=C1)C#N is A member of the class of monofluorobenzenes that is benzene substituted by 5-amino-4-cyano-1H-imidazol-1-yl, fluoro, and morpholin-4-yl groups at positions 1, 3 and 4, respectively. It is also related to or classified as nitrile  .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as aminoimidazole , morpholines , primary amino compound .
The molecule ClC=1C=CC(=CC1)C2=NC(=CS2)CCN=C(O)CCC ClC=1C=CC(=CC1)C2=NC(=CS2)CCN=C(O)CCC is azoramide. It has the role of neuroprotective agent . It is also related to or classified as organic molecular entity .
The molecule O=C(N(C=1C=CC=CC1)C2CCN(CC(O)C=3C=CC=CC3)CC2C)CC O=C(N(C=1C=CC=CC1)C2CCN(CC(O)C=3C=CC=CC3)CC2C)CC is A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 2-(4-anilino-3-methylpiperidin-1-yl)-1-phenylethanol with propanoic acid. It is a synthetic analogue of fentanyl. It has the role of opioid analgesic . It has the role of mu-opioid receptor agonist . It is also related to or classified as anilide  .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as benzyl alcohols , piperidines , tertiary amino compound .
The molecule OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O is the D-enantiomer of gulopyranose. It is also related to or classified as D-gulose  . It is also related to or classified as gulopyranose  . It is also related to or classified as D-aldohexose .
The molecule [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C is A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. It has the role of central nervous system stimulant . It has the role of sympathomimetic agent . It has the role of adrenergic uptake inhibitor . It has the role of xenobiotic . It has the role of local anaesthetic . It has the role of sodium channel blocker . It has the role of vasoconstrictor agent . It has the role of serotonin uptake inhibitor . It has the role of dopamine uptake inhibitor . It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of environmental contaminant . It is also related to or classified as methyl ester  . It is also related to or classified as benzoate ester , tropane alkaloid , tertiary amino compound .
The molecule ClC1=C(N)C=C(S(=O)(=O)NCCC#N)C=C1 ClC1=C(N)C=C(S(=O)(=O)NCCC#N)C=C1 is N1-(2-cyanoethyl)-3-amino-4-chlorobenzene-1-sulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O is A D-gulopyranose with an alpha-configuration at the anomeric position. It is also related to or classified as D-gulopyranose  .
The molecule OCC1(O)OC[C@H](O)[C@H](O)[C@H]1O OCC1(O)OC[C@H](O)[C@H](O)[C@H]1O is the L-enantiomer of fructopyranose. It is also related to or classified as L-fructose  . It is also related to or classified as fructopyranose  .
The molecule ClC=1C=C(C(=O)N(C2C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])CCCC2)C)C=CC1Cl ClC=1C=C(C(=O)N(C2C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])CCCC2)C)C=CC1Cl is U-47700-d6. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O is A D-fructopyranose in which the anomeric centre has beta-configuration. It is also related to or classified as D-fructopyranose  .
The molecule S1C=C(C2=C(C(=NC(=C2C(O)=O)C)C)C(O)=O)C=C1 S1C=C(C2=C(C(=NC(=C2C(O)=O)C)C)C(O)=O)C=C1 is 2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule ClC1=CC=C(C=C1)C(ON=C(N)C2=CC=C([N+]([O-])=O)C=C2)=O ClC1=CC=C(C=C1)C(ON=C(N)C2=CC=C([N+]([O-])=O)C=C2)=O is O1-(4-chlorobenzoyl)-4-nitrobenzene-1-carbohydroximamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule S1C(C=2NC(=O)C(=C(C2)C=3OC=CC3)C#N)=CC=C1 S1C(C=2NC(=O)C(=C(C2)C=3OC=CC3)C#N)=CC=C1 is 4-(2-furyl)-2-oxo-6-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule [H]C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO [H]C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO is aldehydo-L-gulose. It is also related to or classified as L-gulose  . It is also related to or classified as aldehydo-gulose  .
The molecule FC(F)(F)C1=C(C=NC=C1)C(O)=O FC(F)(F)C1=C(C=NC=C1)C(O)=O is 4-(trifluoromethyl)nicotinic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO is the open-chain form of D-fructose. It is also related to or classified as D-fructose  . It is also related to or classified as keto-fructose  .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](O[C@@H]6[C@@H](O)[C@H](C)O[C@@H](O[C@H]7[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]8[C@@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)O[C@H](O[C@@H]9[C@@H](O)[C@H](C)O[C@@H](O[C@H]%10[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]%10NC(C)=O)[C@@H]9OC(C)=O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H]7NC(C)=O)[C@@H]6OC(C)=O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H]4NC(C)=O)[C@@H]3OC(C)=O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](O[C@@H]6[C@@H](O)[C@H](C)O[C@@H](O[C@H]7[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]8[C@@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)O[C@H](O[C@@H]9[C@@H](O)[C@H](C)O[C@@H](O[C@H]%10[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]%10NC(C)=O)[C@@H]9OC(C)=O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H]7NC(C)=O)[C@@H]6OC(C)=O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H]4NC(C)=O)[C@@H]3OC(C)=O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A synthetic beta-D-glucoside that is a branched pentadecasaccharide derivative consisting of three beta-D-Glc-(1->6)-[alpha-L-Rha-(1->3)]-alpha-D-Glc-(1->3)-alpha-L-Rha2Ac-(1->3)-beta-D-GlcNAc pentasaccharide units linked (1->4) between the GlcNac residue at the reducing end of one unit and the OH at position 4 of the alpha-D-glucose residue of the adjacent unit. An aminoethyl linker from the reducing-end GlcNAc residue allows for efficient conjugation to a carrier protein. It has the role of antigen . It is also related to or classified as beta-D-glucoside  .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](O[C@@H]6[C@@H](O)[C@H](C)O[C@@H](O[C@H]7[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]7NC(C)=O)[C@@H]6OC(C)=O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H]4NC(C)=O)[C@@H]3OC(C)=O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](O[C@@H]6[C@@H](O)[C@H](C)O[C@@H](O[C@H]7[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]7NC(C)=O)[C@@H]6OC(C)=O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H]4NC(C)=O)[C@@H]3OC(C)=O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A synthetic beta-D-glucoside that is a branched decasaccharide derivative consisting of two beta-D-Glc-(1->6)-[alpha-L-Rha-(1->3)]-alpha-D-Glc-(1->3)-alpha-L-Rha2Ac-(1->3)-beta-D-GlcNAc pentasaccharide units linked (1->4) between the GlcNac residue at the reducing end of one unit and the OH at position 4 of the alpha-D-glucose residue of the other unit. An aminoethyl linker from the reducing-end GlcNAc residue allows for efficient conjugation to a carrier protein. It has the role of antigen . It is also related to or classified as beta-D-glucoside  .
The molecule OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1O OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1O is A L-fructofuranose with an alpha-configuration at the anomeric position. It is also related to or classified as L-fructofuranose  .
The molecule [H]C(=O)C(CCC([O-])=O)C([O-])=O [H]C(=O)C(CCC([O-])=O)C([O-])=O is dicarboxylate anion of 2-formylglutaric acid. It is also related to or classified as dicarboxylic acid dianion  .
The molecule OC[C@@]1(O)OC[C@H](O)[C@H](O)[C@H]1O OC[C@@]1(O)OC[C@H](O)[C@H](O)[C@H]1O is A L-fructopyranose with an alpha-configuration at the anomeric position. It is also related to or classified as L-fructopyranose  .
The molecule [H]C(=O)[C@H](CCC([O-])=O)C([O-])=O [H]C(=O)[C@H](CCC([O-])=O)C([O-])=O is A 2-formylglutarate(2-) that has S-configuration. It is also related to or classified as 2-formylglutarate(2-)  .
The molecule OC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O OC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O is A L-fructopyranose with a beta-configuration at the anomeric position. It is also related to or classified as L-fructopyranose  .
The molecule C(CCCCCCC[C@@H]([C@@H]1[C@@H](/C=C\CCCCC)O1)O)([O-])=O C(CCCCCCC[C@@H]([C@@H]1[C@@H](/C=C\CCCCC)O1)O)([O-])=O is (10R,11R)-epoxy-(9S)-hydroxy-(12Z)-octadecenoate(1-).  It is also related to or classified as epoxide  . It is also related to or classified as octadecanoid anion .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]4NC(C)=O)[C@@H]3OC(C)=O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]4NC(C)=O)[C@@H]3OC(C)=O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A synthetic beta-D-glucoside that is a branched pentasaccharide derivative consisting of two glucose residues, two rhamnose residues (out of which one is acetylated at the 2nd position) and one N-acetylglucosamine residue with at the reducing end an aminoethyl linker allowing for efficient conjugation to a carrier protein. The basic structure (i.e. without the linker) is the pentasaccharide repeat unit of the O25B major serotype within the extraintestinal pathogenic E. coli (ExPEC) group which expresses a unique O-antigen. It has the role of antigen . It is also related to or classified as beta-D-glucoside  .
The molecule OC[C@H](O)[C@H](O)[C@@H](O)C(=O)CO OC[C@H](O)[C@H](O)[C@@H](O)C(=O)CO is keto-L-fructose. It is also related to or classified as L-fructose  . It is also related to or classified as keto-fructose  .
The molecule CC\C=C\CCOC(=O)CC(C)C CC\C=C\CCOC(=O)CC(C)C is A 3-hexenyl isovalerate in which the double bond adopts trans-configuration. It has the role of plant metabolite . It is also related to or classified as 3-hexenyl isovalerate  .
The molecule CCN1C(CC2=CSC(N)=N2)=NN=C1SCC1=CC(=CC=C1)C(=O)NC1=C(C)C(C)=CC=C1 CCN1C(CC2=CSC(N)=N2)=NN=C1SCC1=CC(=CC=C1)C(=O)NC1=C(C)C(C)=CC=C1 is A secondary carboxamide resulting from the formal condensation of the carboxy group of 3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoic acid with the amino group of 2,3-dimethylaniline. It is also related to or classified as secondary carboxamide  . It is also related to or classified as organic sulfide  . It is also related to or classified as benzamides , benzenes , triazoles , 1,3-thiazoles , primary amino compound .
The molecule OC[C@@H]1OC(O)(CO)[C@H](O)[C@H]1O OC[C@@H]1OC(O)(CO)[C@H](O)[C@H]1O is the L-enantiomer of fructofuranose. It is also related to or classified as L-fructose  . It is also related to or classified as fructofuranose  .
The molecule [NH3+][C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O [NH3+][C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O is conjugate base of 5-phospho-beta-D-ribosylamine. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H]1NC(C)=O)C([O-])=O)C([O-])=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H]1NC(C)=O)C([O-])=O)C([O-])=O is the ion of overall charge -3 formed from undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine at pH 7.3. It is also related to or classified as organophosphonate oxoanion .
The molecule C1([C@@H]2O[C@@H]([C@@H](O)C([C@H]2O)=O)CO)=C(C3=C(OC(C4=CC=C(O)C=C4)=CC3=O)C=C1[O-])O C1([C@@H]2O[C@@H]([C@@H](O)C([C@H]2O)=O)CO)=C(C3=C(OC(C4=CC=C(O)C=C4)=CC3=O)C=C1[O-])O is major species at pH 7.3. It is also related to or classified as phenolate anion .
The molecule O[C@@H]1CO[C@](O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O O[C@@H]1CO[C@](O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O is beta-D-fructopyranose 1-phosphate. Its functional parent is beta-D-fructopyranose . It is also related to or classified as D-fructopyranose 1-phosphate  .
The molecule C1=2C(OC(=CC1=O)C3=CC(=C(C=C3)O)O)=CC(=C(C2[O-])[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)=O)O)[O-] C1=2C(OC(=CC1=O)C3=CC(=C(C=C3)O)O)=CC(=C(C2[O-])[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)=O)O)[O-] is major microspecies at pH 7.3. Its functional parent is isoorientin .  It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as C-glycosyl compound .
The molecule C12=C(OC(=CC1=O)C3=CC(=C(C=C3)O)O)C=C(C(=C2O)[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)=O)O)[O-] C12=C(OC(=CC1=O)C3=CC(=C(C=C3)O)O)C=C(C(=C2O)[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)=O)O)[O-] is major species at pH 7.3. It is a conjugate acid of 3''-oxohomoorientin(2-) . It is also related to or classified as phenolate anion .
The molecule [H][C@@]12C[C@H]3[C@H](CC)[C@@H](O)[NH+]1[C@H]1C[C@]4([C@H](OC(C)=O)C31)[C@H]2N(C)c1ccccc41 [H][C@@]12C[C@H]3[C@H](CC)[C@@H](O)[NH+]1[C@H]1C[C@]4([C@H](OC(C)=O)C31)[C@H]2N(C)c1ccccc41 is conjugate acid of 17-O-acetylajmaline. It is a conjugate acid of 17-O-acetylajmaline . It is also related to or classified as ammonium ion derivative .
The molecule O1[C@]([C@H](O)C(=O)[C@@H]([C@H]1CO)O)(C=2C(=CC=3OC=4C=C(C(=CC4C(C3C2O)=O)O)O)[O-])[H] O1[C@]([C@H](O)C(=O)[C@@H]([C@H]1CO)O)(C=2C(=CC=3OC=4C=C(C(=CC4C(C3C2O)=O)O)O)[O-])[H] is major species at pH 7.3. It is also related to or classified as phenolate anion .
The molecule OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O is the L-enantiomer of gulopyranose. It is also related to or classified as L-gulose  . It is also related to or classified as gulopyranose  .