EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200546 - Pestaloxanthone

ChEBI IDCHEBI:200546
ChEBI NamePestaloxanthone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESCOC(=O)c1cc(OC)cc2oc3cc(CO)cc(O)c3c(=O)c12
InChIInChI=1S/C17H14O7/c1-22-9-5-10(17(21)23-2)14-13(6-9)24-12-4-8(7-18)3-11(19)15(12)16(14)20/h3-6,18-19H,7H2,1-2H3
InChIKeyIJUFSGBZRCCKSS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2012.01.041)
ChEBI Ontology
Outgoing Relation(s)
Pestaloxanthone (CHEBI:200546) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 8-hydroxy-6-(hydroxymethyl)-3-methoxy-9-oxoxanthene-1-carboxylate
Manual XrefsDatabases
29214648ChemSpider