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CHEBI:213215 - Mycosphine B

ChEBI IDCHEBI:213215
ChEBI NameMycosphine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27NO4
Net Charge0
Average Mass309.406
Monoisotopic Mass309.19401
SMILESCC[C@H](C)C1=C(OC)C(=O)[C@@](C)(CC)C(=O)C1=CNCCO
InChIInChI=1S/C17H27NO4/c1-6-11(3)13-12(10-18-8-9-19)15(20)17(4,7-2)16(21)14(13)22-5/h10-11,18-19H,6-9H2,1-5H3/t11-,17-/m0/s1
InChIKeyJDAOAPPGBLJFBL-GTNSWQLSSA-N
Species of MetaboliteComponentSourceComments
Mycosphaerellaspecies (ncbitaxon:1715237) - DOI (10.1016/j.tetlet.2013.04.063)
ChEBI Ontology
Outgoing Relation(s)
Mycosphine B (CHEBI:213215) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(2S)-5-[(2S)-butan-2-yl]-2-ethyl-6-[(2-hydroxyethylamino)methylidene]-4-methoxy-2-methylcyclohex-4-ene-1,3-dione
Manual XrefsDatabases
78437486ChemSpider