CHEBI:28111 - (4-hydroxy-3-methoxyphenyl)acetaldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4-hydroxy-3-methoxyphenyl)acetaldehyde
ChEBI ID CHEBI:28111
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20107, CHEBI:1574
Supplier Information eMolecules:32277540, ZINC000000895803
Download Molfile XML SDF
Formula C9H10O3
Net Charge 0
Average Mass 166.17390
Monoisotopic Mass 166.06299
InChI InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3
InChIKey GOQGGGANVKPMNH-UHFFFAOYSA-N
SMILES [H]C(=O)Cc1ccc(O)c(OC)c1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (4-hydroxy-3-methoxyphenyl)acetaldehyde (CHEBI:28111) has role human metabolite (CHEBI:77746)
(4-hydroxy-3-methoxyphenyl)acetaldehyde (CHEBI:28111) has role mouse metabolite (CHEBI:75771)
(4-hydroxy-3-methoxyphenyl)acetaldehyde (CHEBI:28111) is a α-CH2-containing aldehyde (CHEBI:73359)
(4-hydroxy-3-methoxyphenyl)acetaldehyde (CHEBI:28111) is a phenylacetaldehydes (CHEBI:25973)
IUPAC Name
(4-hydroxy-3-methoxyphenyl)acetaldehyde
Synonyms Sources
(4-Hydroxy-3-methoxyphenyl)acetaldehyde KEGG COMPOUND
3-Methoxy-4-hydroxyphenylacetaldehyde KEGG COMPOUND
4-hydroxy-3-methoxybenzeneacetaldehyde ChemIDplus
HMPAL ChemIDplus
homovanillin ChemIDplus
Manual Xref Database
C05581 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1950767 Beilstein Registry Number Beilstein
5703-24-2 CAS Registry Number NIST Chemistry WebBook
5703-24-2 CAS Registry Number ChemIDplus
Last Modified
27 January 2016