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CHEBI:209642 - Peniisocoumarin I

ChEBI IDCHEBI:209642
ChEBI NamePeniisocoumarin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O7
Net Charge0
Average Mass282.248
Monoisotopic Mass282.07395
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H](O)CO)cc2c1O
InChIInChI=1S/C13H14O7/c1-19-10-4-9(16)11-8(12(10)17)3-7(20-13(11)18)2-6(15)5-14/h3-4,6,14-17H,2,5H2,1H3/t6-/m1/s1
InChIKeyQAALPZMRHLRTRD-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29792702)
ChEBI Ontology
Outgoing Relation(s)
Peniisocoumarin I (CHEBI:209642) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(2R)-2,3-dihydroxypropyl]-5,8-dihydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
71048954ChemSpider