EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204780 - Truncateol B

ChEBI IDCHEBI:204780
ChEBI NameTruncateol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESC=C(C)C#C[C@H]1C[C@@H]2OC(C)(C)[C@@H](O)C[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C16H22O4/c1-9(2)5-6-10-7-12-16(14(20-16)13(10)18)8-11(17)15(3,4)19-12/h10-14,17-18H,1,7-8H2,2-4H3/t10-,11-,12-,13+,14+,16-/m0/s1
InChIKeyPHEKSAGWYUBZTP-HFVXDEDMSA-N
Species of MetaboliteComponentSourceComments
Truncatella angustata (ncbitaxon:152316) - DOI (10.1016/j.tet.2015.03.033)
ChEBI Ontology
Outgoing Relation(s)
Truncateol B (CHEBI:204780) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1aR,2R,3R,4aS,7S,8aS)-6,6-dimethyl-3-(3-methylbut-3-en-1-ynyl)-2,3,4,4a,7,8-hexahydro-1aH-oxireno[2,3-e]chromene-2,7-diol
Manual XrefsDatabases
35516899ChemSpider