1-O-galloyl-β-D-glucose

Chemical Formula:

C₁₃H₁₆O₁₀

Molecular Weight:

332.263 Daltons

Monoisotopic Mass:

332.0743467346 Daltons

SMILES:

C1(C(O)=C(O)C(O)=CC=1C(=O)OC2(OC(CO)C(O)C(O)C(O)2))

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

Synonyms

Databases

MetaCyc: 1-O-GALLOYL-BETA-D-GLUCOSE

ChemSpider: 110537

PubChem (CID): 124021

ChEBI: 15834

KEGG: C01158

RefMet: 1-O-Galloyl-beta-D-glucose

Seed: cpd00852

HMDB: HMDB38728

MetaNetX: MNXM1098

3DMET: B01398

CAS: 554-37-0