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CHEBI:205527 - Truncateol F

ChEBI IDCHEBI:205527
ChEBI NameTruncateol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESC=C(C)C#C[C@H]1C[C@@H]2O[C@@H](C(C)(C)O)C[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C16H22O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h10-14,17-18H,1,7-8H2,2-4H3/t10-,11-,12+,13+,14+,16-/m0/s1
InChIKeyUZRDNRMSDRDSPO-BSVVWIFFSA-N
Species of MetaboliteComponentSourceComments
Truncatella angustata (ncbitaxon:152316) - DOI (10.1016/j.tet.2015.03.033)
ChEBI Ontology
Outgoing Relation(s)
Truncateol F (CHEBI:205527) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,3R,4R,5R,7S,9R)-9-(2-hydroxypropan-2-yl)-5-(3-methylbut-3-en-1-ynyl)-2,8-dioxatricyclo[5.3.0.01,3]decan-4-ol
Manual XrefsDatabases
35516903ChemSpider