EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209976 - Falconensin R

ChEBI IDCHEBI:209976
ChEBI NameFalconensin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25BrO7
Net Charge0
Average Mass493.350
Monoisotopic Mass492.07837
SMILESCC=CC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(OC)cc(OC)c(Br)c3C)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C23H25BrO7/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/t15-,21+,23+/m1/s1
InChIKeyHYDQGZQFHFLRHB-XFEVJDRUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus falconensis (ncbitaxon:1810910) - PubMed (32290208)
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 R (CHEBI:209976) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-prop-1-enyl-8,8a-dihydro-1H-isochromen-7-yl] 3-bromo-4,6-dimethoxy-2-methylbenzoate