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CHEBI:203996 - Monasfluore A

ChEBI IDCHEBI:203996
ChEBI NameMonasfluore A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESC/C=C/C1=CC2=CC(=O)C3(C)OC(=O)C(C(=O)CCCCC)C3C2=CO1
InChIInChI=1S/C21H24O5/c1-4-6-7-9-16(22)18-19-15-12-25-14(8-5-2)10-13(15)11-17(23)21(19,3)26-20(18)24/h5,8,10-12,18-19H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyNUJXNRMLMKAJSY-VMPITWQZSA-N
Species of MetaboliteComponentSourceComments
Monascusspecies (in: ascomycete fungi) (ncbitaxon:1963841) - PubMed (18072738)
ChEBI Ontology
Outgoing Relation(s)
Monasfluore A (CHEBI:203996) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
9-hexanoyl-6a-methyl-3-[(E)-prop-1-enyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
78444065ChemSpider