EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219897 - 4-chloropinselin

ChEBI IDCHEBI:219897
ChEBI Name4-chloropinselin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H11ClO6
Net Charge0
Average Mass334.711
Monoisotopic Mass334.02442
SMILESCOC(=O)c1c(O)cc(Cl)c2oc3cc(C)cc(O)c3c(=O)c12
InChIInChI=1S/C16H11ClO6/c1-6-3-8(18)11-10(4-6)23-15-7(17)5-9(19)12(16(21)22-2)13(15)14(11)20/h3-5,18-19H,1-2H3
InChIKeyMPIBVPSYWGPCFR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Monilinia fructicola (ncbitaxon:38448) - PubMed (3949629)
ChEBI Ontology
Outgoing Relation(s)
4-chloropinselin (CHEBI:219897) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 4-chloro-2,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
Manual XrefsDatabases
62965345ChemSpider