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CHEBI:216154 - Penicillone B

ChEBI IDCHEBI:216154
ChEBI NamePenicillone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC[C@@H]1[C@H]2CC[C@@H](O)[C@H]3C(=O)[C@]1(C)C(=O)[C@@](C)(O)[C@@H]23
InChIInChI=1S/C14H20O4/c1-6-7-4-5-8(15)9-10(7)14(3,18)12(17)13(6,2)11(9)16/h6-10,15,18H,4-5H2,1-3H3/t6-,7-,8-,9-,10+,13-,14+/m1/s1
InChIKeyLMSMABQXBYDSIJ-YRIVFPBASA-N
Species of MetaboliteComponentSourceComments
Penicillium terrestre (ncbitaxon:374132) - DOI (10.1016/j.tetlet.2005.05.087)
ChEBI Ontology
Outgoing Relation(s)
Penicillone B (CHEBI:216154) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(1R,3S,4R,7R,8S,9S,11R)-4,9-dihydroxy-1,9,11-trimethyltricyclo[5.3.1.03,8]undecane-2,10-dione
Manual XrefsDatabases
9577399ChemSpider