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CHEBI:213867 - Achaetolide-II

ChEBI IDCHEBI:213867
ChEBI NameAchaetolide-II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O7
Net Charge0
Average Mass400.512
Monoisotopic Mass400.24610
SMILESCCCCCCC[C@@H]1C[C@H](O)[C@H](O)/C=C/[C@@H](OC(=O)[C@@H](C)[C@H](C)O)CC(=O)O1
InChIInChI=1S/C21H36O7/c1-4-5-6-7-8-9-16-12-19(24)18(23)11-10-17(13-20(25)27-16)28-21(26)14(2)15(3)22/h10-11,14-19,22-24H,4-9,12-13H2,1-3H3/b11-10+/t14-,15-,16+,17+,18+,19-/m0/s1
InChIKeyFJSKPUJMHNGLPY-CBIPHORWSA-N
Species of MetaboliteComponentSourceComments
Helminthosporium (ncbitaxon:58127) - DOI (10.1016/j.tet.2015.08.013)
ChEBI Ontology
Outgoing Relation(s)
Achaetolide-II (CHEBI:213867) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2R,4S,5R,6E,8S)-2-heptyl-4,5-dihydroxy-10-oxo-2,3,4,5,8,9-hexahydrooxecin-8-yl] (2S,3S)-3-hydroxy-2-methylbutanoate
Manual XrefsDatabases
78437502ChemSpider