CHEBI:186003 - Pumilaisoflavone C

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ChEBI Name Pumilaisoflavone C
ChEBI ID CHEBI:186003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O7
Net Charge 0
Average Mass 466.530
Monoisotopic Mass 466.19915
InChI InChI=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
InChIKey ZFUYAROWFZXDIQ-UHFFFAOYSA-N
SMILES O1C2=C(C(=O)C(C=3C(CC=C(C)C)=C(OC)C(O)=C(OC)C3)=C1)C(O)=C(CC=C(C)C)C(O)=C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24842808 ChemSpider
LMPK12050270 LIPID MAPS
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