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CHEBI:210230 - Scirpyrone A

ChEBI IDCHEBI:210230
ChEBI NameScirpyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O6
Net Charge0
Average Mass282.292
Monoisotopic Mass282.11034
SMILESCCCC[C@]1(c2cc(OC)cc(=O)o2)C[C@@H](O)C(=O)O1
InChIInChI=1S/C14H18O6/c1-3-4-5-14(8-10(15)13(17)20-14)11-6-9(18-2)7-12(16)19-11/h6-7,10,15H,3-5,8H2,1-2H3/t10-,14-/m1/s1
InChIKeyHKQVKOAOXNMGFT-QMTHXVAHSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis scirpina (ncbitaxon:1158741) - DOI (10.1002/ejoc.201200007)
ChEBI Ontology
Outgoing Relation(s)
Scirpyrone A (CHEBI:210230) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2R,4R)-2-butyl-4-hydroxy-5-oxooxolan-2-yl]-4-methoxypyran-2-one
Manual XrefsDatabases
28289666ChemSpider