CHEBI:20414 - 4-hydroxymethylsalicylaldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxymethylsalicylaldehyde
ChEBI ID CHEBI:20414
Definition A member of the class of benzaldehydes that is salicylaldehyde in which the hydrogen meta- to the phenolic hydroxy group is substituted by a hydroxymethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34426
Supplier Information
Download Molfile XML SDF
Formula C8H8O3
Net Charge 0
Average Mass 152.14730
Monoisotopic Mass 152.04734
InChI InChI=1S/C8H8O3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,9,11H,4H2
InChIKey OWAQGWDSFNLJGH-UHFFFAOYSA-N
SMILES [H]C(=O)c1ccc(CO)cc1O
ChEBI Ontology
Outgoing 4-hydroxymethylsalicylaldehyde (CHEBI:20414) has functional parent salicylaldehyde (CHEBI:16008)
4-hydroxymethylsalicylaldehyde (CHEBI:20414) is a aromatic primary alcohol (CHEBI:33857)
4-hydroxymethylsalicylaldehyde (CHEBI:20414) is a benzaldehydes (CHEBI:22698)
4-hydroxymethylsalicylaldehyde (CHEBI:20414) is a phenols (CHEBI:33853)
IUPAC Name
2-hydroxy-4-(hydroxymethyl)benzaldehyde
Synonyms Sources
2-Hydroxy-4-hydroxymethyl-benzaldehyde KEGG COMPOUND
4-Hydroxymethylsalicylaldehyde KEGG COMPOUND
Manual Xrefs Databases
c0710 UM-BBD
C14108 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
10335648 Reaxys Registry Number Reaxys
156605-23-1 CAS Registry Number KEGG COMPOUND
Last Modified
27 July 2011