EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227642 - Penicilliumolide D

ChEBI IDCHEBI:227642
ChEBI NamePenicilliumolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13ClO6
Net Charge0
Average Mass336.727
Monoisotopic Mass336.04007
SMILESCOc1cc(O)c2c(=O)oc3c(O)c(OC)c(Cl)c(C)c3c2c1
InChIInChI=1S/C16H13ClO6/c1-6-10-8-4-7(21-2)5-9(18)11(8)16(20)23-14(10)13(19)15(22-3)12(6)17/h4-5,18-19H,1-3H3
InChIKeyQVAKGFOTXJEJAM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chermesinum (ncbitaxon:63820) - DOI (10.1039/c5ra13735g)
ChEBI Ontology
Outgoing Relation(s)
Penicilliumolide D (CHEBI:227642) is a coumarins (CHEBI:23403)
IUPAC Name 
2-chloro-4,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromen-6-one
Manual XrefsDatabases
40256870ChemSpider