EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187583 - Irisone A

ChEBI IDCHEBI:187583
ChEBI NameIrisone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12O6
Net Charge0
Average Mass312.277
Monoisotopic Mass312.06339
SMILESCOc1ccccc1-c1coc2cc3c(c(O)c2c1=O)OCO3
InChIInChI=1S/C17H12O6/c1-20-11-5-3-2-4-9(11)10-7-21-12-6-13-17(23-8-22-13)16(19)14(12)15(10)18/h2-7,19H,8H2,1H3
InChIKeyDWGZUNVIWVMPBQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Irisone A (CHEBI:187583) is a isoflavones (CHEBI:38757)
IUPAC Name 
9-hydroxy-7-(2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Manual XrefsDatabases
LMPK12050367LIPID MAPS
4590773ChemSpider
Registry NumbersSources
CAS:2652-16-6ChemIDplus