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CHEBI:199400 - Flagranone B

ChEBI IDCHEBI:199400
ChEBI NameFlagranone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O8
Net Charge0
Average Mass362.334
Monoisotopic Mass362.10017
SMILESCC(=O)OCC1=CC(=O)C2(C(/C=C(C)/C=C/C=O)OC(C)=O)OC2C1=O
InChIInChI=1S/C18H18O8/c1-10(5-4-6-19)7-15(25-12(3)21)18-14(22)8-13(9-24-11(2)20)16(23)17(18)26-18/h4-8,15,17H,9H2,1-3H3/b5-4+,10-7+
InChIKeySVNKMLNHRUIBIV-YIORLJKJSA-N
Species of MetaboliteComponentSourceComments
Arthrobotrys flagrans (ncbitaxon:97331) - PubMed (10656575)
ChEBI Ontology
Outgoing Relation(s)
Flagranone B (CHEBI:199400) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[6-[(2E,4E)-1-acetyloxy-3-methyl-6-oxohexa-2,4-dienyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
Manual XrefsDatabases
8888990ChemSpider