EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208707 - Asperpanoid A

ChEBI IDCHEBI:208707
ChEBI NameAsperpanoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O3
Net Charge0
Average Mass182.219
Monoisotopic Mass182.09429
SMILESCCCc1ccc(O)c(O)c1CO
InChIInChI=1S/C10H14O3/c1-2-3-7-4-5-9(12)10(13)8(7)6-11/h4-5,11-13H,2-3,6H2,1H3
InChIKeyRNGONXOJOKTQDT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31426620)
ChEBI Ontology
Outgoing Relation(s)
Asperpanoid A (CHEBI:208707) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
3-(hydroxymethyl)-4-propylbenzene-1,2-diol
Manual XrefsDatabases
77006265ChemSpider