EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198786 - Chaetophenol A

ChEBI IDCHEBI:198786
ChEBI NameChaetophenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESCC(=O)Cc1c(C=O)c(O)c(C)c(O)c1CC=C(C)C
InChIInChI=1S/C16H20O4/c1-9(2)5-6-12-13(7-10(3)18)14(8-17)16(20)11(4)15(12)19/h5,8,19-20H,6-7H2,1-4H3
InChIKeyXQUNLROLQMPMOK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dichotomopilus indicus (ncbitaxon:1934381) - PubMed (23767797)
ChEBI Ontology
Outgoing Relation(s)
Chaetophenol A (CHEBI:198786) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
2,4-dihydroxy-3-methyl-5-(3-methylbut-2-enyl)-6-(2-oxopropyl)benzaldehyde
Manual XrefsDatabases
78434622ChemSpider