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CHEBI:220576 - Deacetylisowortmin B

ChEBI IDCHEBI:220576
ChEBI NameDeacetylisowortmin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O8
Net Charge0
Average Mass444.480
Monoisotopic Mass444.17842
SMILESCC=C[C@H]1CC2=C(CO1)C(=O)[C@@](C)(OC(C)=O)[C@H](OC(=O)c1c(C)cc(OC)cc1O)C2
InChIInChI=1S/C24H28O8/c1-6-7-16-9-15-10-20(24(4,32-14(3)25)22(27)18(15)12-30-16)31-23(28)21-13(2)8-17(29-5)11-19(21)26/h6-8,11,16,20,26H,9-10,12H2,1-5H3/t16-,20+,24-/m0/s1
InChIKeyKZUVIZCYFSYMDK-GANZUKCXSA-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 B (CHEBI:220576) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(3R,6R,7S)-7-acetyloxy-7-methyl-8-oxo-3-prop-1-enyl-3,4,5,6-tetrahydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate