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CHEBI:227774 - Truncateol K

ChEBI IDCHEBI:227774
ChEBI NameTruncateol K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21ClO4
Net Charge0
Average Mass312.793
Monoisotopic Mass312.11284
SMILESC=C(C)C#CC1=C[C@@H]2O[C@@H](C(C)(C)O)C[C@]2(Cl)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H21ClO4/c1-9(2)5-6-10-7-11-16(17,14(19)13(10)18)8-12(21-11)15(3,4)20/h7,11-14,18-20H,1,8H2,2-4H3/t11-,12+,13+,14+,16+/m0/s1
InChIKeyFMQZTNFBYSFQKT-UTHRFFRBSA-N
Species of MetaboliteComponentSourceComments
Truncatella angustata (ncbitaxon:152316) - DOI (10.1016/j.tet.2015.03.033)
ChEBI Ontology
Outgoing Relation(s)
Truncateol K (CHEBI:227774) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,3aS,4R,5R,7aS)-3a-chloro-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-3-en-1-ynyl)-3,4,5,7a-tetrahydro-2H-1-benzouran-4,5-diol
Manual XrefsDatabases
35516908ChemSpider