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CHEBI:169372 - Scandinone

ChEBI IDCHEBI:169372
ChEBI NameScandinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O5
Net Charge0
Average Mass418.489
Monoisotopic Mass418.17802
SMILESCOc1c(CC=C(C)C)c2c(c3occ(-c4ccc(O)cc4)c(=O)c13)C=CC(C)(C)O2
InChIInChI=1S/C26H26O5/c1-15(2)6-11-18-23-19(12-13-26(3,4)31-23)25-21(24(18)29-5)22(28)20(14-30-25)16-7-9-17(27)10-8-16/h6-10,12-14,27H,11H2,1-5H3
InChIKeyOUZCFMSJGDEXRT-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)
Scandinone (CHEBI:169372) is a isoflavanones (CHEBI:38741)
IUPAC Name 
3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Manual XrefsDatabases
550499ChemSpider
LMPK12050337LIPID MAPS