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CHEBI:203751 - Flagranone C

ChEBI IDCHEBI:203751
ChEBI NameFlagranone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O8
Net Charge0
Average Mass336.296
Monoisotopic Mass336.08452
SMILESCC(=O)OCC1=CC(=O)C2(C(/C=C(\C)C=O)OC(C)=O)OC2C1=O
InChIInChI=1S/C16H16O8/c1-8(6-17)4-13(23-10(3)19)16-12(20)5-11(7-22-9(2)18)14(21)15(16)24-16/h4-6,13,15H,7H2,1-3H3/b8-4+
InChIKeyHSTGWHJVZDXYFE-XBXARRHUSA-N
Species of MetaboliteComponentSourceComments
Arthrobotrys flagrans (ncbitaxon:97331) - PubMed (10656575)
ChEBI Ontology
Outgoing Relation(s)
Flagranone C (CHEBI:203751) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[6-[(E)-1-acetyloxy-3-methyl-4-oxobut-2-enyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
Manual XrefsDatabases
8839925ChemSpider