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CHEBI:78339 - ortho-vanillin

ChEBI IDCHEBI:78339
ChEBI Nameortho-vanillin
Stars
ASCII Nameortho-vanillin
DefinitionA member of the class of benzaldehydes that is salicylaldehyde substituted by a methoxy group at position 3.
Last Modified7 April 2017
Submitternamrata
DownloadsMolfile
FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILES[H]C(=O)c1cccc(OC)c1O
InChIInChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
InChIKeyJJVNINGBHGBWJH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimutagen  An agent that reduces or interferes with the mutagenic actions or effects of a substance.
ChEBI Ontology
Outgoing Relation(s)
ortho-vanillin (CHEBI:78339) has functional parent salicylaldehyde (CHEBI:16008)
ortho-vanillin (CHEBI:78339) has role antimutagen (CHEBI:73190)
ortho-vanillin (CHEBI:78339) has role plant metabolite (CHEBI:76924)
ortho-vanillin (CHEBI:78339) is a benzaldehydes (CHEBI:22698)
ortho-vanillin (CHEBI:78339) is a guaiacols (CHEBI:134251)
IUPAC Name 
2-hydroxy-3-methoxybenzaldehyde
Synonyms  Source
2-Hydroxy-m-anisaldehydeChemIDplus
2-VanillinChemIDplus
3-methoxysalicylaldehydeChEBI
6-Formyl-2-methoxyphenolChemIDplus
6-FormylguaiacolChemIDplus
Oxy-2 methoxy-3 benzaldehydeChemIDplus
Manual XrefsDatabases
Ortho-VanillinWikipedia
Registry NumbersSources
Reaxys:471913Reaxys
CAS:148-53-8ChemIDplus
Citations