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CHEBI:193416 - Pendulone

ChEBI IDCHEBI:193416
ChEBI NamePendulone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O6
Net Charge0
Average Mass316.309
Monoisotopic Mass316.09469
SMILESCOC1=C(OC)C(=O)C(C2COc3cc(O)ccc3C2)=CC1=O
InChIInChI=1S/C17H16O6/c1-21-16-13(19)7-12(15(20)17(16)22-2)10-5-9-3-4-11(18)6-14(9)23-8-10/h3-4,6-7,10,18H,5,8H2,1-2H3
InChIKeySHZOHJDZQPQBSW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Pendulone (CHEBI:193416) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
4478538ChemSpider
LMPK12080052LIPID MAPS