EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224882 - Penithochromone E

ChEBI IDCHEBI:224882
ChEBI NamePenithochromone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESCOC(=O)CCCCCCc1cc(=O)c2c(O)cc(OC)cc2o1
InChIInChI=1S/C18H22O6/c1-22-13-10-15(20)18-14(19)9-12(24-16(18)11-13)7-5-3-4-6-8-17(21)23-2/h9-11,20H,3-8H2,1-2H3
InChIKeyZKKDIWVUIJOYRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32902982)
ChEBI Ontology
Outgoing Relation(s)
Penithochromone E (CHEBI:224882) is a chromones (CHEBI:23238)
IUPAC Name 
methyl 7-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)heptanoate
Manual XrefsDatabases
92172189ChemSpider