CHEBI:89555 - Vanillic acid-4-O-glucuronide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Vanillic acid-4-O-glucuronide
ChEBI ID CHEBI:89555
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H18O9
Net Charge 0
Average Mass 342.299
Monoisotopic Mass 342.09508
InChI InChI=1S/C15H18O9/c1-6-10(16)11(17)12(14(20)21)24-15(6)23-8-4-3-7(13(18)19)5-9(8)22-2/h3-6,10-12,15-17H,1-2H3,(H,18,19)(H,20,21)/t6-,10-,11+,12+,15-/m1/s1
InChIKey MBNPZIKKKDDLLL-QGZCQISNSA-N
SMILES COC1=CC(=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)C)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Vanillic acid-4-O-glucuronide (CHEBI:89555) is a tannin (CHEBI:26848)
Synonym Source
(2S,3S,4R,5R,6S)-6-(4-carboxy-2-methoxyphenoxy)-3,4-dihydroxy-5-methyloxane-2-carboxylic acid HMDB
Manual Xref Database
HMDB0060024 HMDB
View more database links
Citation Waiting for Citations Type Source
22827565 PubMed citation Europe PMC