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CHEBI:213231 - 1-epi-isariotin A

ChEBI IDCHEBI:213231
ChEBI Name1-epi-isariotin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33NO7
Net Charge0
Average Mass411.495
Monoisotopic Mass411.22570
SMILESO=C(/C=C/CCCCCCCCCO)N[C@H]1C[C@@]2(O)C(=O)[C@H]([C@H](O)[C@@H]3O[C@@H]32)[C@@H]1O
InChIInChI=1S/C21H33NO7/c23-11-9-7-5-3-1-2-4-6-8-10-14(24)22-13-12-21(28)19(27)15(16(13)25)17(26)18-20(21)29-18/h8,10,13,15-18,20,23,25-26,28H,1-7,9,11-12H2,(H,22,24)/b10-8+/t13-,15-,16+,17-,18-,20-,21+/m0/s1
InChIKeyXLHWNLUVIQKZKV-MXJJYYFHSA-N
Species of MetaboliteComponentSourceComments
Gibellula formosana (ncbitaxon:219212) - DOI (10.1016/j.tet.2012.05.020)
ChEBI Ontology
Outgoing Relation(s)
1-epi-isariotin A (CHEBI:213231) is a oxacycle (CHEBI:38104)
IUPAC Name 
(E)-12-hydroxy-N-[(1S,2S,4S,5S,6S,7S,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]dodec-2-enamide
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78437487ChemSpider