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CHEBI:222998 - Pleosporalone B

ChEBI IDCHEBI:222998
ChEBI NamePleosporalone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29ClO8
Net Charge0
Average Mass516.974
Monoisotopic Mass516.15510
SMILESC/C=C(\C)[C@H](OC(C)=O)[C@H](C)C(=O)O[C@@]1(C)C(=O)C2=COC(C3=C(C)CCCC3=O)=CC2=C(Cl)C1=O
InChIInChI=1S/C27H29ClO8/c1-7-13(2)23(35-16(5)29)15(4)26(33)36-27(6)24(31)18-12-34-20(11-17(18)22(28)25(27)32)21-14(3)9-8-10-19(21)30/h7,11-12,15,23H,8-10H2,1-6H3/b13-7+/t15-,23-,27-/m0/s1
InChIKeyHASSXTLCIPVJFU-AYSLCWCTSA-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 B (CHEBI:222998) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-5-chloro-7-methyl-3-(2-methyl-6-oxocyclohexen-1-yl)-6,8-dioxoisochromen-7-yl] (E,2S,3R)-3-acetyloxy-2,4-dimethylhex-4-enoate
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