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CHEBI:18353 - vanillyl alcohol

Default Structure
ChEBI IDCHEBI:18353
ChEBI Namevanillyl alcohol
Stars
DefinitionA monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4.
Secondary ChEBI IDsCHEBI:1843, CHEBI:15303, CHEBI:27279
Last Modified12 June 2017
DownloadsMolfile
FormulaC8H10O3
Net Charge0
Average Mass154.165
Monoisotopic Mass154.06299
SMILESCOc1cc(CO)ccc1O
InChIInChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
InChIKeyZENOXNGFMSCLLL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
vanillyl alcohol (CHEBI:18353) has role plant metabolite (CHEBI:76924)
vanillyl alcohol (CHEBI:18353) is a benzyl alcohols (CHEBI:22743)
vanillyl alcohol (CHEBI:18353) is a guaiacols (CHEBI:134251)
Incoming Relation(s)
capsiate (CHEBI:134190) has functional parent vanillyl alcohol (CHEBI:18353)
vanillyl alcohol diacetate (CHEBI:86957) has functional parent vanillyl alcohol (CHEBI:18353)
vanillyl alcohol monosulfate (CHEBI:133583) has functional parent vanillyl alcohol (CHEBI:18353)
vanillyl β-D-glucopyranoside (CHEBI:86958) has functional parent vanillyl alcohol (CHEBI:18353)
vanillylamine (CHEBI:46958) has functional parent vanillyl alcohol (CHEBI:18353)
IUPAC Name 
4-(hydroxymethyl)-2-methoxyphenol
Synonyms  Source
4-hydroxy-3-methoxy-benzenemethanolChEBI
4-hydroxy-3-methoxybenzenemethanolChEBI
4-Hydroxy-3-methoxy-benzenemethanolKEGG COMPOUND
4-Hydroxy-3-methoxybenzenemethanolKEGG COMPOUND
4-hydroxy-3-methoxybenzyl alcoholChEBI
4-Hydroxy-3-methoxybenzyl alcoholKEGG COMPOUND
UniProt Name  Source
4-hydroxy-3-methoxy-benzenemethanolUniProt
Manual XrefsDatabases
c0588UM-BBD
C06317KEGG COMPOUND
C06317KEGG COMPOUND
HMDB0032012HMDB
Vanillyl_alcoholWikipedia
Registry NumbersSources
Reaxys:1910044Reaxys
CAS:498-00-0KEGG COMPOUND
Citations