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CHEBI:216281 - Biscognienyne A

ChEBI IDCHEBI:216281
ChEBI NameBiscognienyne A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O3
Net Charge0
Average Mass262.349
Monoisotopic Mass262.15689
SMILESC=C(C)C#CC1=C[C@@H](O)C[C@@](O)(CC=C(C)C)[C@@H]1O
InChIInChI=1S/C16H22O3/c1-11(2)5-6-13-9-14(17)10-16(19,15(13)18)8-7-12(3)4/h7,9,14-15,17-19H,1,8,10H2,2-4H3/t14-,15-,16+/m1/s1
InChIKeyXUCFPGHFHVYLOU-OAGGEKHMSA-N
Species of MetaboliteComponentSourceComments
Biscogniauxiaspecies (ncbitaxon:1896107) - PubMed (27933865)
ChEBI Ontology
Outgoing Relation(s)
Biscognienyne A (CHEBI:216281) is a cyclitol (CHEBI:23451)
IUPAC Name 
(1R,2S,4S)-2-(3-methylbut-2-enyl)-6-(3-methylbut-3-en-1-ynyl)cyclohex-5-ene-1,2,4-triol
Manual XrefsDatabases
78439303ChemSpider