1.0 2010-04-08 22:15:44 UTC 2019-11-26 03:20:27 UTC FDB021492 Glucopyranosyl anthranilate Constituent of the fruit of pi~nuela Bromelia plumieri. Glucopyranosyl anthranilate is found in fruits and corn. b-D-Glucopyranosyl anthranilate Glucopyranosyl anthranilate C13H17NO7 299.2766 299.100501903 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-aminobenzoate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-aminobenzoate 13283-31-3 NC1=CC=CC=C1C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C13H17NO7/c14-7-4-2-1-3-6(7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2 GTQKOJVFDJDUGN-UHFFFAOYSA-N belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Hexoses Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Amino acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Primary amines Secondary alcohols Vinylogous amides Acetal Alcohol Amine Amino acid or derivatives Aminobenzoic acid or derivatives Aniline or substituted anilines Aromatic heteromonocyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Primary amine Secondary alcohol Vinylogous amide a small molecule logp -1.59 ALOGPS logs -1.05 ALOGPS solubility 2.66e+01 g/l ALOGPS logp -0.62 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic 2 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-aminobenzoate ChemAxon average_mass 299.2766 ChemAxon mono_mass 299.100501903 ChemAxon smiles NC1=CC=CC=C1C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C13H17NO7 ChemAxon inchi InChI=1S/C13H17NO7/c14-7-4-2-1-3-6(7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2 ChemAxon inchikey GTQKOJVFDJDUGN-UHFFFAOYSA-N ChemAxon polar_surface_area 142.47 ChemAxon refractivity 70.45 ChemAxon polarizability 29.1 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 47222 Specdb::NmrOneD 47223 Specdb::NmrOneD 47224 Specdb::NmrOneD 47225 Specdb::NmrOneD 47226 Specdb::NmrOneD 47227 Specdb::NmrOneD 47228 Specdb::NmrOneD 47229 Specdb::NmrOneD 47230 Specdb::NmrOneD 47231 Specdb::NmrOneD 47232 Specdb::NmrOneD 47233 Specdb::NmrOneD 47234 Specdb::NmrOneD 47235 Specdb::NmrOneD 47236 Specdb::NmrOneD 47237 Specdb::NmrOneD 47238 Specdb::NmrOneD 47239 Specdb::NmrOneD 47240 Specdb::NmrOneD 47241 Specdb::CMs 16903 Specdb::CMs 47362 Specdb::CMs 154404 Specdb::MsMs 303388 Specdb::MsMs 303389 Specdb::MsMs 303390 Specdb::MsMs 346318 Specdb::MsMs 346319 Specdb::MsMs 346320 Specdb::MsMs 2421504 Specdb::MsMs 2421505 Specdb::MsMs 2421506 Specdb::MsMs 2544910 Specdb::MsMs 2544911 Specdb::MsMs 2544912 HMDB41517 #<Reference:0x000055ac3fcb5e08> Corn Type 1 specific Zea mays 4577 Fruits Unknown generic