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CHEBI:186041 - Moralbanone

ChEBI IDCHEBI:186041
ChEBI NameMoralbanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O6
Net Charge0
Average Mass490.596
Monoisotopic Mass490.23554
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12
InChIInChI=1S/C30H34O6/c1-18(2)7-5-8-19(3)9-6-10-20(4)11-13-23-25(33)16-26(34)29-27(35)17-28(36-30(23)29)22-14-12-21(31)15-24(22)32/h7,9,11-12,14-17,31-34H,5-6,8,10,13H2,1-4H3/b19-9+,20-11+
InChIKeyKVTGJUFKNDYOTO-VQCWNDBCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Moralbanone (CHEBI:186041) is a flavones (CHEBI:24043)
IUPAC Name 
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-4-one
Manual XrefsDatabases
LMPK12110901LIPID MAPS
4478098ChemSpider