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CHEBI:214962 - Speciosin V

ChEBI IDCHEBI:214962
ChEBI NameSpeciosin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCC(C)=CC[C@]12O[C@H]1[C@@H](O)C=C(C#CC(C)CO)[C@@H]2O
InChIInChI=1S/C16H22O4/c1-10(2)6-7-16-14(19)12(5-4-11(3)9-17)8-13(18)15(16)20-16/h6,8,11,13-15,17-19H,7,9H2,1-3H3/t11?,13-,14-,15-,16+/m0/s1
InChIKeyLJLFIAMCYDTZNS-VEIVBXGLSA-N
Species of MetaboliteComponentSourceComments
Stagonosporaspecies (ncbitaxon:1904476) - DOI (10.1016/j.phytol.2020.07.016)
ChEBI Ontology
Outgoing Relation(s)
Speciosin V (CHEBI:214962) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,2S,5S,6S)-3-(4-hydroxy-3-methylbut-1-ynyl)-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol