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CHEBI:168888 - 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone

ChEBI IDCHEBI:168888
ChEBI Name1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O7
Net Charge0
Average Mass468.546
Monoisotopic Mass468.21480
SMILESCOc1ccc(-c2coc3c(CCC(C)(C)O)c4c(c(O)c3c2=O)CCC(C)(C)O4)cc1OC
InChIInChI=1S/C27H32O7/c1-26(2,30)11-9-17-24-16(10-12-27(3,4)34-24)22(28)21-23(29)18(14-33-25(17)21)15-7-8-19(31-5)20(13-15)32-6/h7-8,13-14,28,30H,9-12H2,1-6H3
InChIKeyOHRZKULNMHVVEI-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)
1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone (CHEBI:168888) is a isoflavanones (CHEBI:38741)
IUPAC Name 
7-(3,4-dimethoxyphenyl)-5-hydroxy-10-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
Manual XrefsDatabases
LMPK12050267LIPID MAPS
24842806ChemSpider