CHEBI:226950 - Kasanosin A

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ChEBI Name Kasanosin A
ChEBI ID CHEBI:226950
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O8
Net Charge 0
Average Mass 416.426
Monoisotopic Mass 416.14712
InChI InChI=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
InChIKey BZFOKKQJMFIXDI-NQQCORKOSA-N
SMILES O=C1C2=C(C=C(/C=C/CO)OC2)C[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(OC)C=C3C
Metabolite of Species Details
Talaromycesspecies (NCBI:txid1707706) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via azaphilone )
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ChEBI Ontology
Outgoing 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 Xref Database
23340711 ChemSpider
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