Vanilloside (CHEBI:168797)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Vanilloside

ChEBI ID	CHEBI:168797

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O8

Net Charge

Average Mass

314.290

Monoisotopic Mass

314.10017

InChI

InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3

InChIKey

LPRNQMUKVDHCFX-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)C=O)CO

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	Vanilloside (CHEBI:168797) is a glycoside (CHEBI:24400)

IUPAC Name

3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde