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CHEBI:169821 - Heteroflavanone B

ChEBI IDCHEBI:169821
ChEBI NameHeteroflavanone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O7
Net Charge0
Average Mass428.481
Monoisotopic Mass428.18350
SMILESCOc1cc(OC)c(C2CC(=O)c3c(O)cc(OC)c(CC=C(C)C)c3O2)c(OC)c1
InChIInChI=1S/C24H28O7/c1-13(2)7-8-15-18(28-4)11-16(25)22-17(26)12-21(31-24(15)22)23-19(29-5)9-14(27-3)10-20(23)30-6/h7,9-11,21,25H,8,12H2,1-6H3
InChIKeyCQHDMUSZBYPHBO-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)
Heteroflavanone B (CHEBI:169821) is a flavanones (CHEBI:28863)
IUPAC Name 
5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
HMDB0040836HMDB
LMPK12140479LIPID MAPS
24846508ChemSpider