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CHEBI:203615 - Falconensin K

ChEBI IDCHEBI:203615
ChEBI NameFalconensin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23ClO7
Net Charge0
Average Mass434.872
Monoisotopic Mass434.11323
SMILESC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(OC)cc(O)c(Cl)c3C)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C22H23ClO7/c1-5-6-13-7-12-8-17(25)22(3,20(26)14(12)10-29-13)30-21(27)18-11(2)19(23)15(24)9-16(18)28-4/h5-9,14,20,24,26H,10H2,1-4H3/b6-5+/t14-,20+,22+/m1/s1
InChIKeyZXTNKQJBZVFQFX-LHOLRKRRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/s0031-9422(97)00530-x)
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 K (CHEBI:203615) 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-hydroxy-6-methoxy-2-methylbenzoate
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8845862ChemSpider