EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217829 - Falconensin I

ChEBI IDCHEBI:217829
ChEBI NameFalconensin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3OC)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C22H24O7/c1-5-6-15-8-13-9-18(24)22(3,20(25)16(13)11-28-15)29-21(26)19-12(2)7-14(23)10-17(19)27-4/h5-10,16,20,23,25H,11H2,1-4H3/b6-5+/t16-,20+,22+/m1/s1
InChIKeyDYYRAKRVBIKBMP-LAACEAOZSA-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 I (CHEBI:217829) 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] 4-hydroxy-2-methoxy-6-methylbenzoate
Manual XrefsDatabases
9969928ChemSpider