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CHEBI:203544 - Mycosphine D

ChEBI IDCHEBI:203544
ChEBI NameMycosphine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O3
Net Charge0
Average Mass240.343
Monoisotopic Mass240.17254
SMILESCC[C@H](C)C1=C(OC)C(=O)[C@@](C)(CC)[C@@H](O)C1
InChIInChI=1S/C14H24O3/c1-6-9(3)10-8-11(15)14(4,7-2)13(16)12(10)17-5/h9,11,15H,6-8H2,1-5H3/t9-,11-,14-/m0/s1
InChIKeyRPNVRNPUCWFLOZ-CHIMOYNISA-N
Species of MetaboliteComponentSourceComments
Mycosphaerellaspecies (ncbitaxon:1715237) - DOI (10.1016/j.tetlet.2013.04.063)
ChEBI Ontology
Outgoing Relation(s)
Mycosphine D (CHEBI:203544) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(5S,6S)-3-[(2S)-butan-2-yl]-6-ethyl-5-hydroxy-2-methoxy-6-methylcyclohex-2-en-1-one
Manual XrefsDatabases
78437027ChemSpider