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CHEBI:204192 - Scalpturan

ChEBI IDCHEBI:204192
ChEBI NameScalpturan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCOc1ccc2c(c1O)C(=O)[C@@](C)(O)OC2
InChIInChI=1S/C11H12O5/c1-11(14)10(13)8-6(5-16-11)3-4-7(15-2)9(8)12/h3-4,12,14H,5H2,1-2H3/t11-/m0/s1
InChIKeyNJMLRQVWOPGDSK-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Tricholoma scalpturatum (ncbitaxon:76326) - DOI (10.3891/acta.chem.scand.48-0453)
ChEBI Ontology
Outgoing Relation(s)
Scalpturan (CHEBI:204192) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3,5-dihydroxy-6-methoxy-3-methyl-1H-isochromen-4-one
Manual XrefsDatabases
78435888ChemSpider