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CHEBI:202585 - Pleurocybellone A

ChEBI IDCHEBI:202585
ChEBI NamePleurocybellone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O6
Net Charge0
Average Mass404.503
Monoisotopic Mass404.21989
SMILESCCCCCCC(O)C(=O)O[C@@H]1[C@@H]2[C@@H](C=CC3=C(O)C(=O)C(=O)[C@]32C)CC1(C)C
InChIInChI=1S/C23H32O6/c1-5-6-7-8-9-15(24)21(28)29-20-16-13(12-22(20,2)3)10-11-14-17(25)18(26)19(27)23(14,16)4/h10-11,13,15-16,20,24-25H,5-9,12H2,1-4H3/t13-,15?,16-,20+,23+/m0/s1
InChIKeyCEFZWNWVYVDLRV-QMPPHBRLSA-N
Species of MetaboliteComponentSourceComments
Xeromphalinaspecies (ncbitaxon:2011762) - PubMed (20345148)
ChEBI Ontology
Outgoing Relation(s)
Pleurocybellone A (CHEBI:202585) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(1R,3aR,8aS,8bR)-6-hydroxy-2,2,8a-trimethyl-7,8-dioxo-1,3,3a,8b-tetrahydro-as-indacen-1-yl] 2-hydroxyoctanoate
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78436893ChemSpider