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CHEBI:186555 - Enantiomultijugin

ChEBI IDCHEBI:186555
ChEBI NameEnantiomultijugin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O7
Net Charge0
Average Mass422.433
Monoisotopic Mass422.13655
SMILES[H][C@]12Oc3cc(OC)c4c(=O)cc(-c5ccccc5)oc4c3[C@@]1([H])C(OC(C)=O)C(C)(C)O2
InChIInChI=1S/C24H22O7/c1-12(25)28-22-20-19-17(30-23(20)31-24(22,2)3)11-16(27-4)18-14(26)10-15(29-21(18)19)13-8-6-5-7-9-13/h5-11,20,22-23H,1-4H3/t20-,22?,23+/m0/s1
InChIKeyXMJHOTVIJNLONQ-XLSWHLDHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Enantiomultijugin (CHEBI:186555) is a flavones (CHEBI:24043)
IUPAC Name 
[(12R,16S)-8-methoxy-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,4,7,9-tetraen-15-yl] acetate
Manual XrefsDatabases
LMPK12110156LIPID MAPS
24843229ChemSpider