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CHEBI:225346 - Falconensin N

ChEBI IDCHEBI:225346
ChEBI NameFalconensin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24Cl2O7
Net Charge0
Average Mass471.333
Monoisotopic Mass470.08991
SMILESCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3OC)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C22H24Cl2O7/c1-5-6-12-7-11-8-14(25)22(3,20(27)13(11)9-30-12)31-21(28)15-10(2)16(23)18(26)17(24)19(15)29-4/h7-8,13,20,26-27H,5-6,9H2,1-4H3/t13-,20+,22+/m1/s1
InChIKeyNGPVAYRDUVAHGY-XOJPMGEXSA-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 N (CHEBI:225346) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
Manual XrefsDatabases
8847432ChemSpider