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CHEBI:199739 - Truncateol N

ChEBI IDCHEBI:199739
ChEBI NameTruncateol N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESC=C(C)C#C[C@]1(O)[C@H](O)[C@H](O)C(CC=C(C)C)=C[C@@H]1O
InChIInChI=1S/C16H22O4/c1-10(2)5-6-12-9-13(17)16(20,8-7-11(3)4)15(19)14(12)18/h5,9,13-15,17-20H,3,6H2,1-2,4H3/t13-,14+,15+,16+/m0/s1
InChIKeyHPXCIVOFOHJBPM-ZJIFWQFVSA-N
Species of MetaboliteComponentSourceComments
Truncatella angustata (ncbitaxon:152316) - DOI (10.1016/j.tet.2015.03.033)
ChEBI Ontology
Outgoing Relation(s)
Truncateol N (CHEBI:199739) is a ynone (CHEBI:51723)
IUPAC Name 
(1S,2R,3R,4R)-5-(3-methylbut-2-enyl)-2-(3-methylbut-3-en-1-ynyl)cyclohex-5-ene-1,2,3,4-tetrol
Manual XrefsDatabases
35516911ChemSpider