EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217215 - Ustethylin A

ChEBI IDCHEBI:217215
ChEBI NameUstethylin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESCOc1cc(CCO)c(C=O)c(O)c1CO
InChIInChI=1S/C11H14O5/c1-16-10-4-7(2-3-12)8(5-13)11(15)9(10)6-14/h4-5,12,14-15H,2-3,6H2,1H3
InChIKeyIBCVKWTVTFWXRD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ustus (ncbitaxon:40382) - PubMed (33006285)
ChEBI Ontology
Outgoing Relation(s)
Ustethylin A (CHEBI:217215) is a methoxybenzenes (CHEBI:51683)
Ustethylin A (CHEBI:217215) is a phenols (CHEBI:33853)
IUPAC Name 
2-hydroxy-6-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzaldehyde