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CHEBI:227825 - Peyroisocoumarin A

ChEBI IDCHEBI:227825
ChEBI NamePeyroisocoumarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17ClO6
Net Charge0
Average Mass328.748
Monoisotopic Mass328.07137
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H](O)[C@H](Cl)[C@H](C)O)cc2c1
InChIInChI=1S/C15H17ClO6/c1-7(17)14(16)12(19)6-10-4-8-3-9(21-2)5-11(18)13(8)15(20)22-10/h3-5,7,12,14,17-19H,6H2,1-2H3/t7-,12+,14+/m0/s1
InChIKeyPRKBXQUVGDYJDD-AAAAQAOESA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (27450949)
ChEBI Ontology
Outgoing Relation(s)
Peyroisocoumarin A (CHEBI:227825) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(2R,3R,4S)-3-chloro-2,4-dihydroxypentyl]-8-hydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
58197318ChemSpider