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CHEBI:220385 - Mycosphine A

ChEBI IDCHEBI:220385
ChEBI NameMycosphine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23NO3
Net Charge0
Average Mass265.353
Monoisotopic Mass265.16779
SMILESCC[C@H](C)C1=C(OC)C(=O)[C@@](C)(CC)C(=O)C1=CN
InChIInChI=1S/C15H23NO3/c1-6-9(3)11-10(8-16)13(17)15(4,7-2)14(18)12(11)19-5/h8-9H,6-7,16H2,1-5H3/t9-,15-/m0/s1
InChIKeyUYAKMJUNAXPYTG-VFZGTOFNSA-N
Species of MetaboliteComponentSourceComments
Mycosphaerellaspecies (ncbitaxon:1715237) - DOI (10.1016/j.tetlet.2013.04.063)
ChEBI Ontology
Outgoing Relation(s)
Mycosphine A (CHEBI:220385) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(2S)-6-(aminomethylidene)-5-[(2S)-butan-2-yl]-2-ethyl-4-methoxy-2-methylcyclohex-4-ene-1,3-dione
Manual XrefsDatabases
78438203ChemSpider