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CHEBI:226950 - Kasanosin A

ChEBI IDCHEBI:226950
ChEBI NameKasanosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESCOc1cc(C)c(C(=O)O[C@H]2CC3=C(COC(/C=C/CO)=C3)C(=O)[C@@]2(C)O)c(O)c1
InChIInChI=1S/C22H24O8/c1-12-7-15(28-3)10-17(24)19(12)21(26)30-18-9-13-8-14(5-4-6-23)29-11-16(13)20(25)22(18,2)27/h4-5,7-8,10,18,23-24,27H,6,9,11H2,1-3H3/b5-4+/t18-,22-/m0/s1
InChIKeyBZFOKKQJMFIXDI-NQQCORKOSA-N
Species of MetaboliteComponentSourceComments
Talaromycesspecies (ncbitaxon:1707706) - PubMed (18308572)
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)
Kasanosin A (CHEBI:226950) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(6S,7S)-7-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
Manual XrefsDatabases
23340711ChemSpider