Terminology Service for NFDI4Health
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1-O-vanilloyl-beta-D-glucose

Go to external page http://purl.obolibrary.org/obo/CHEBI_71512

An O-acyl carbohydrate that is beta-D-glucose bearing a vanilloyl substituent at position 1.

Term info

Label

1-O-vanilloyl-beta-D-glucose

Synonyms
  • 1-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-glucopyranose
database cross reference
Subsets

3_STAR

IUPAC NAME
1-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-glucopyranose [ IUPAC ]

charge

0

formula

C14H18O9

has obo namespace

chebi_ontology

has related synonym

1-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-glucose

id

CHEBI:71512

inchi

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

mass

330.28730

monoisotopicmass

330.09508

smiles

COc1cc(ccc1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O