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CHEBI:200841 - Phaeolschidin E

ChEBI IDCHEBI:200841
ChEBI NamePhaeolschidin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H15NO6
Net Charge0
Average Mass329.308
Monoisotopic Mass329.08994
SMILESO=C1C[C@H](c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)CN1
InChIInChI=1S/C17H15NO6/c19-12-4-2-9(5-13(12)20)1-3-11-7-14(21)16(17(23)24-11)10-6-15(22)18-8-10/h1-5,7,10,19-21H,6,8H2,(H,18,22)/b3-1+/t10-/m0/s1
InChIKeySGUHXUXBJFGRPH-GXTWCOJYSA-N
Species of MetaboliteComponentSourceComments
Phaeolus schweinitzii (ncbitaxon:40476) - PubMed (23869482)
ChEBI Ontology
Outgoing Relation(s)
Phaeolschidin E (CHEBI:200841) is a catechols (CHEBI:33566)
IUPAC Name 
4-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]pyrrolidin-2-one
Manual XrefsDatabases
29784931ChemSpider