CHEBI:212994 - Coniochaetone I

ChEBI IDCHEBI:212994
ChEBI NameConiochaetone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESCC(=O)OCc1cc(O)c2c(=O)c3c(oc2c1)CCC3=O
InChIInChI=1S/C15H12O6/c1-7(16)20-6-8-4-10(18)14-12(5-8)21-11-3-2-9(17)13(11)15(14)19/h4-5,18H,2-3,6H2,1H3
InChIKeyPZSVSQFIKHUACH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fimetariellaspecies (ncbitaxon:2011720) - PubMed (23685047)
Penicillium oxalicum (ncbitaxon:69781) - DOI (10.1246/cl.140138)
ChEBI Ontology
Outgoing Relation(s)
Coniochaetone I (CHEBI:212994) is a chromones (CHEBI:23238)
IUPAC Names 
(8-hydroxy-1,9-dioxo-2,3-dihydrocyclopenta[b]chromen-6-yl)methyl acetate
1,8-dihydroxy-6-(hydroxymethyl)-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
Manual XrefsDatabases
78436048ChemSpider
32675038ChemSpider