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CHEBI:216171 - Falconensin B

ChEBI IDCHEBI:216171
ChEBI NameFalconensin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26Cl2O7
Net Charge0
Average Mass485.360
Monoisotopic Mass484.10556
SMILESCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)c(Cl)c(OC)c(Cl)c3OC)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C23H26Cl2O7/c1-6-7-13-8-12-9-15(26)23(3,21(27)14(12)10-31-13)32-22(28)16-11(2)17(24)20(30-5)18(25)19(16)29-4/h8-9,14,21,27H,6-7,10H2,1-5H3/t14-,21+,23+/m1/s1
InChIKeyCZHCYPZKAVRSGZ-ZGFCVWDJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1248/cpb.40.3142)
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 B (CHEBI:216171) 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-2,4-dimethoxy-6-methylbenzoate
Manual XrefsDatabases
8203903ChemSpider