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CHEBI:200086 - Deacetylisowortmin A

ChEBI IDCHEBI:200086
ChEBI NameDeacetylisowortmin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O7
Net Charge0
Average Mass402.443
Monoisotopic Mass402.16785
SMILESCC=C[C@H]1CC2=C(CO1)C(=O)[C@@](C)(O)[C@H](OC(=O)c1c(C)cc(OC)cc1O)C2
InChIInChI=1S/C22H26O7/c1-5-6-14-8-13-9-18(22(3,26)20(24)16(13)11-28-14)29-21(25)19-12(2)7-15(27-4)10-17(19)23/h5-7,10,14,18,23,26H,8-9,11H2,1-4H3/t14-,18+,22-/m0/s1
InChIKeyPFQLJDQIFFXTFX-OHOGDBNVSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (26729481)
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)
Deacetylisowortmin A (CHEBI:200086) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(3R,6R,7S)-7-hydroxy-7-methyl-8-oxo-3-prop-1-enyl-3,4,5,6-tetrahydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate