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CHEBI:169315 - 5-Deoxykievitol

Default Structure
ChEBI IDCHEBI:169315
ChEBI Name5-Deoxykievitol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESC/C(=C\Cc1c(O)ccc2c1OCC(c1ccc(O)cc1O)C2=O)CO
InChIInChI=1S/C20H20O6/c1-11(9-21)2-4-14-17(23)7-6-15-19(25)16(10-26-20(14)15)13-5-3-12(22)8-18(13)24/h2-3,5-8,16,21-24H,4,9-10H2,1H3/b11-2+
InChIKeyVPCRIHAWNUNORJ-BIIKFXOESA-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)
5-Deoxykievitol (CHEBI:169315) is a isoflavanones (CHEBI:38741)
IUPAC Name 
3-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24842911ChemSpider
HMDB0038774HMDB
LMPK12050460LIPID MAPS