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CHEBI:214956 - Speciosin U

ChEBI IDCHEBI:214956
ChEBI NameSpeciosin U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCC(C)=CC[C@]12O[C@H]1[C@@H](O)C=C(C#CC(C)(O)CO)[C@H]2O
InChIInChI=1S/C16H22O5/c1-10(2)4-7-16-13(19)11(5-6-15(3,20)9-17)8-12(18)14(16)21-16/h4,8,12-14,17-20H,7,9H2,1-3H3/t12-,13+,14-,15?,16+/m0/s1
InChIKeyDJYLVKDURBLLTC-YSEJDXQZSA-N
Species of MetaboliteComponentSourceComments
Stagonosporaspecies (ncbitaxon:1904476) - DOI (10.1016/j.phytol.2020.07.016)
ChEBI Ontology
Outgoing Relation(s)
Speciosin U (CHEBI:214956) is a ynone (CHEBI:51723)
IUPAC Name 
(1R,2R,5S,6S)-3-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol