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CHEBI:184897 - Multijuginol

ChEBI IDCHEBI:184897
ChEBI NameMultijuginol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O6
Net Charge0
Average Mass380.396
Monoisotopic Mass380.12599
SMILES[H][C@@]12Oc3cc(OC)c4c(=O)cc(-c5ccccc5)oc4c3[C@]1([H])[C@@H](O)C(C)(C)O2
InChIInChI=1S/C22H20O6/c1-22(2)20(24)18-17-15(27-21(18)28-22)10-14(25-3)16-12(23)9-13(26-19(16)17)11-7-5-4-6-8-11/h4-10,18,20-21,24H,1-3H3/t18-,20-,21+/m1/s1
InChIKeyLWPLUSZMJGIFAR-NRSPTQNISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Multijuginol (CHEBI:184897) is a flavones (CHEBI:24043)
IUPAC Name 
(12S,15R,16R)-15-hydroxy-8-methoxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,4,7,9-tetraen-6-one
Manual XrefsDatabases
24843242ChemSpider
LMPK12110184LIPID MAPS