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CHEBI:169813 - Pumilaisoflavone B

ChEBI IDCHEBI:169813
ChEBI NamePumilaisoflavone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O7
Net Charge0
Average Mass464.514
Monoisotopic Mass464.18350
SMILESC=CC(C)(C)Oc1c(OC)cc(-c2coc3cc4c(c(O)c3c2=O)CC(C(=C)C)O4)cc1OC
InChIInChI=1S/C27H28O7/c1-8-27(4,5)34-26-21(30-6)9-15(10-22(26)31-7)17-13-32-20-12-19-16(11-18(33-19)14(2)3)24(28)23(20)25(17)29/h8-10,12-13,18,28H,1-2,11H2,3-7H3
InChIKeyXUNJCHOQUWRGCB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Pumilaisoflavone B (CHEBI:169813) is a isoflavanones (CHEBI:38741)
IUPAC Name 
6-[3,5-dimethoxy-4-(2-methylbut-3-en-2-yloxy)phenyl]-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrouro[3,2-g]chromen-5-one
Manual XrefsDatabases
LMPK12050269LIPID MAPS
24842807ChemSpider