Summary

SMILES: OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChI: InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1
InChIKey: GDVRUDXLQBVIKP-HQHREHCSSA-N
DeepSMILES: OC[C@H]O[C@@H]OC=O)cccO)ccc6)O))O)))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: O=C(OC1CCCCO1)c1ccccc1
Scaffold Graph/Node level: OC(OC1CCCCO1)C1CCCCC1
Scaffold Graph level: CC(CC1CCCCC1)C1CCCCC1
Functional groups: CO; cC(=O)O[C@@H](C)OC; cO

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketides
ClassyFire Class: Tannins
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Phenolic acids (C6-C1)
NP Classifier Class: Simple phenolic acids

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Synonymous chemical names:
beta-d-glucogallin, galloylglucose, beta-glucogallin, beta glucogallin, Glucogallin, β-glucogallin, glucogallin, Galloyl glucose, Galloylglucose, galloyl glucose, 1-galloyl-beta-glucose

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External chemical identifiers:
CID:CID_124021; ChEMBL:CHEMBL480283; ChEBI:CHEBI:15834; ZINC:ZINC000004095564; FDASRS:4X7JGS9BFY; SureChEMBL:SCHEMBL1263104; MolPort-028-959-464

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Chemical structure download