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CHEBI:223005 - Pleosporalone C

ChEBI IDCHEBI:223005
ChEBI NamePleosporalone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O8
Net Charge0
Average Mass480.513
Monoisotopic Mass480.17842
SMILESC/C=C(\C)[C@H](OC(C)=O)[C@H](C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(c3c(C)cccc3O)OC=C2C1=O
InChIInChI=1S/C27H28O8/c1-7-14(2)24(34-17(5)28)16(4)26(32)35-27(6)22(30)12-18-11-21(33-13-19(18)25(27)31)23-15(3)9-8-10-20(23)29/h7-13,16,24,29H,1-6H3/b14-7+/t16-,24-,27-/m0/s1
InChIKeyJIZVPYCGEUQNEV-DOZLGCNXSA-N
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)
Pleosporalone C (CHEBI:223005) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] (E,2S,3R)-3-acetyloxy-2,4-dimethylhex-4-enoate
Manual XrefsDatabases
71120853ChemSpider