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CHEBI:206690 - Monaspurpurone

ChEBI IDCHEBI:206690
ChEBI NameMonaspurpurone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCC(=O)c1cc2c(cc1O)C[C@H](O)[C@@](C)(O)C2=O
InChIInChI=1S/C13H14O5/c1-6(14)8-5-9-7(3-10(8)15)4-11(16)13(2,18)12(9)17/h3,5,11,15-16,18H,4H2,1-2H3/t11-,13+/m0/s1
InChIKeyNSRAXDCHRMOUJF-WCQYABFASA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (19459082)
ChEBI Ontology
Outgoing Relation(s)
Monaspurpurone (CHEBI:206690) is a tetralins (CHEBI:36786)
IUPAC Name 
(2R,3S)-7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one
Manual XrefsDatabases
28288178ChemSpider