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CHEBI:209914 - Truncateol M

ChEBI IDCHEBI:209914
ChEBI NameTruncateol M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23ClO5
Net Charge0
Average Mass330.808
Monoisotopic Mass330.12340
SMILESCC1(C)CC(=O)C2=C(O1)[C@H](Cl)[C@]1(O)C[C@H](C(C)(C)O)O[C@H]1C2
InChIInChI=1S/C16H23ClO5/c1-14(2)6-9(18)8-5-10-16(20,13(17)12(8)22-14)7-11(21-10)15(3,4)19/h10-11,13,19-20H,5-7H2,1-4H3/t10-,11+,13-,16-/m0/s1
InChIKeyMXWYBIVSOJBCAK-DZJQYVJYSA-N
Species of MetaboliteComponentSourceComments
Truncatella angustata (ncbitaxon:152316) - DOI (10.1016/j.tet.2015.03.033)
ChEBI Ontology
Outgoing Relation(s)
Truncateol M (CHEBI:209914) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3aS,4R,9aS)-4-chloro-3a-hydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-2,3,4,7,9,9a-hexahydrouro[2,3-g]chromen-8-one
Manual XrefsDatabases
35516910ChemSpider