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CHEBI:227068 - Limacellone

ChEBI IDCHEBI:227068
ChEBI NameLimacellone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESC[C@@H]1C[C@@]23O[C@@H]4CC(O)(O2)C(C)(C)[C@](C)(O4)C3=CC1=O
InChIInChI=1S/C15H20O5/c1-8-6-14-10(5-9(8)16)13(4)12(2,3)15(17,20-14)7-11(18-13)19-14/h5,8,11,17H,6-7H2,1-4H3/t8-,11-,13-,14-,15?/m1/s1
InChIKeyJJKCMWNJRYLLKG-PTKJDVLHSA-N
Species of MetaboliteComponentSourceComments
Zhuliangomyces illinitus (ncbitaxon:181928) - PubMed (18274282)
ChEBI Ontology
Outgoing Relation(s)
Limacellone (CHEBI:227068) is a ketal (CHEBI:59777)
IUPAC Name 
(1R,3R,7S,9R)-11-hydroxy-3,7,14,14-tetramethyl-8,12,13-trioxatetracyclo[7.3.1.17,11.01,6]tetradec-5-en-4-one