bmse010047 Vanillyl-B-D-Glucoside at BMRB

Vanillyl-B-D-Glucoside
bmse010047 - data

Vanillyl-B-D-Glucoside

Vanillyl-B-D-Glucoside; 2-(4-Hydroxy-3-methoxybenzyloxy)-6-hydroxymethyltetrahydropyran-3,4,5-triol

Molecular Formula: C14 H20 O8
Natural Isotopic Abundance Mass: 316.3038
Mono-Isotopic Molecular Masses: C12N14: 316.1158176188; C13N14: 330.162785348; C12N15: 316.1158176188; C13N15: 330.162785348

Vanillyl-B-D-Glucoside

InCHi String:
InChI=1/C14H20O8/c1-20-9-4-7(2-3-8(9)16)6-21-14-13(19)12(18)11(17)10(5-15)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1

Canonical and Isomeric SMILES:
COC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O

Beilstein
Vanillyl-B-D-Glucoside

PubChem Substance (SID):   111677941
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 107
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.