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CHEBI:168073 - Cassiachromone

ChEBI IDCHEBI:168073
ChEBI NameCassiachromone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O4
Net Charge0
Average Mass232.235
Monoisotopic Mass232.07356
SMILESCC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12
InChIInChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3
InChIKeyYMCXDPKFRCHLPK-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)
Cassiachromone (CHEBI:168073) is a chromones (CHEBI:23238)
IUPAC Name 
7-hydroxy-2-methyl-5-(2-oxopropyl)chromen-4-one
Manual XrefsDatabases
HMDB0030813HMDB
4477789ChemSpider
Registry NumbersSources
CAS:28955-30-8ChemIDplus