ortho-vanillin (CHEBI:78339)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	ortho-vanillin

ChEBI ID	CHEBI:78339

ChEBI ASCII Name	ortho-vanillin

Definition	A member of the class of benzaldehydes that is salicylaldehyde substituted by a methoxy group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C8H8O3

Net Charge

Average Mass

152.14730

Monoisotopic Mass

152.04734

InChI

InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3

InChIKey

JJVNINGBHGBWJH-UHFFFAOYSA-N

SMILES

COc1cccc(C=O)c1O

Roles Classification
Biological Role(s):	antimutagen An agent that reduces or interferes with the mutagenic actions or effects of a substance. 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	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

Last Modified

07 April 2017