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CHEBI:219923 - Falconensin E

ChEBI IDCHEBI:219923
ChEBI NameFalconensin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25ClO7
Net Charge0
Average Mass448.899
Monoisotopic Mass448.12888
SMILESC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(OC)cc(OC)c(Cl)c3C)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C23H25ClO7/c1-6-7-14-8-13-9-18(25)23(3,21(26)15(13)11-30-14)31-22(27)19-12(2)20(24)17(29-5)10-16(19)28-4/h6-10,15,21,26H,11H2,1-5H3/b7-6+/t15-,21+,23+/m1/s1
InChIKeyYVTDTJGERJTOBX-UYBCDTHQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1248/cpb.44.2213)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Falconensin E (CHEBI:219923) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 3-chloro-4,6-dimethoxy-2-methylbenzoate
Manual XrefsDatabases
9972406ChemSpider