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CHEBI:18346 - vanillin

ChEBI IDCHEBI:18346
ChEBI Namevanillin
Stars
DefinitionA member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively.
Secondary ChEBI IDsCHEBI:1842, CHEBI:15302, CHEBI:20380, CHEBI:48387
Last Modified1 July 2021
Submitterhcourrier
DownloadsMolfile

FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILES[H]C(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKeyMWOOGOJBHIARFG-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Panax japonicus var. major (ncbitaxon:45211) root (BTO:0001188) PubMed (21417387) Ethanolic extract of dried and pulverized roots
Pisonia aculeata (ncbitaxon:363212)
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
Beilschmiedia tsangii (IPNI:462970-1) root (BTO:0001188) PubMed (21846089) Cold MeOH extract of dry and sliced roots
Roles Classification

ChEBI Ontology
IUPAC Name 
4-hydroxy-3-methoxybenzaldehyde
Synonyms  Source
4-Hydroxy-3-methoxy-benzaldehydeKEGG COMPOUND
VanillinKEGG COMPOUND
VanillaldehydeKEGG COMPOUND
4-Hydroxy-3-methoxybenzaldehydeKEGG COMPOUND
3-methoxy-4-hydroxybenzaldehydeUM-BBD
4-hydroxy-m-anisaldehydeNIST Chemistry WebBook
UniProt Name  Source
vanillinUniProt
Manual XrefsDatabases
C00755KEGG COMPOUND
C00755KEGG COMPOUND
c0193UM-BBD
V55PDBeChem
D00091KEGG DRUG
C00002683KNApSAcK
C00029531KNApSAcK
VanillinWikipedia
HMDB0012308HMDB
VANILLINMetaCyc
FDB000838FooDB
Registry NumbersSources
Gmelin:3596Gmelin
Beilstein:472792Beilstein
CAS:121-33-5ChemIDplus
CAS:121-33-5NIST Chemistry WebBook
Citations