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CHEBI:227830 - Peyroisocoumarin B

ChEBI IDCHEBI:227830
ChEBI NamePeyroisocoumarin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16Cl2O6
Net Charge0
Average Mass363.193
Monoisotopic Mass362.03239
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H](O)C(Cl)(Cl)[C@H](C)O)cc2c1
InChIInChI=1S/C15H16Cl2O6/c1-7(18)15(16,17)12(20)6-10-4-8-3-9(22-2)5-11(19)13(8)14(21)23-10/h3-5,7,12,18-20H,6H2,1-2H3/t7-,12+/m0/s1
InChIKeySOXRQGOWHKFGPV-JVXZTZIISA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (27450949)
ChEBI Ontology
Outgoing Relation(s)
Peyroisocoumarin B (CHEBI:227830) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(2R,4S)-3,3-dichloro-2,4-dihydroxypentyl]-8-hydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
58197319ChemSpider