1-O-vanilloyl-β-D-glucose

Chemical Formula:

C₁₄H₁₈O₉

Molecular Weight:

330.291 Daltons

Monoisotopic Mass:

330.0950821767 Daltons

SMILES:

COC1(=CC(=CC=C(O)1)C(=O)OC2(OC(CO)C(O)C(O)C(O)2))

InChI:

1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1

InChIKey:

YROOZUQRTLHXIO-DIACKHNESA-N

Databases

MetaCyc: CPD-15006

KEGG: C20470

PubChem (CID): 14132344

ChEBI: 71512

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

MetaNetX: MNXM97184