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CHEBI:186145 - Echinoisosophoranone

ChEBI IDCHEBI:186145
ChEBI NameEchinoisosophoranone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O6
Net Charge0
Average Mass384.428
Monoisotopic Mass384.15729
SMILESC=CC(C)(C)c1cc(C2COc3cc(OC)cc(O)c3C2=O)c(OC)cc1O
InChIInChI=1S/C22H24O6/c1-6-22(2,3)15-9-13(18(27-5)10-16(15)23)14-11-28-19-8-12(26-4)7-17(24)20(19)21(14)25/h6-10,14,23-24H,1,11H2,2-5H3
InChIKeyIVDADZLYWFNWFZ-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)
Echinoisosophoranone (CHEBI:186145) is a ether (CHEBI:25698)
Echinoisosophoranone (CHEBI:186145) is a flavonoids (CHEBI:72544)
IUPAC Name 
5-hydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-7-methoxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12050487LIPID MAPS
24842923ChemSpider