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CHEBI:218379 - (1S,2R,4R,5S)-14-deoxy-aspergiketone

ChEBI IDCHEBI:218379
ChEBI Name(1S,2R,4R,5S)-14-deoxy-aspergiketone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC=C1CC[C@]2(O)C[C@H]1[C@H](C)C(=O)[C@@H]2C=C(C)C
InChIInChI=1S/C15H22O2/c1-9(2)7-13-14(16)11(4)12-8-15(13,17)6-5-10(12)3/h7,11-13,17H,3,5-6,8H2,1-2,4H3/t11-,12+,13-,15-/m0/s1
InChIKeyUOXPJXAZWFSKHE-XFMPKHEZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1177/1934578X1801301101)
ChEBI Ontology
Outgoing Relation(s)
(1S,2R,4R,5S)-14-deoxy-aspergiketone (CHEBI:218379) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,2R,4S,5S)-1-hydroxy-4-methyl-6-methylidene-2-(2-methylprop-1-enyl)bicyclo[3.3.1]nonan-3-one