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CHEBI:186003 - Pumilaisoflavone C

ChEBI IDCHEBI:186003
ChEBI NamePumilaisoflavone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O7
Net Charge0
Average Mass466.530
Monoisotopic Mass466.19915
SMILESCOc1cc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)c(CC=C(C)C)c(OC)c1O
InChIInChI=1S/C27H30O7/c1-14(2)7-9-16-18(11-22(32-5)26(31)27(16)33-6)19-13-34-21-12-20(28)17(10-8-15(3)4)24(29)23(21)25(19)30/h7-8,11-13,28-29,31H,9-10H2,1-6H3
InChIKeyZFUYAROWFZXDIQ-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)
Pumilaisoflavone C (CHEBI:186003) is a isoflavones (CHEBI:38757)
IUPAC Name 
5,7-dihydroxy-3-[4-hydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
LMPK12050270LIPID MAPS
24842808ChemSpider