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CHEBI:204299 - 12'-O-acetylisariotin A

ChEBI IDCHEBI:204299
ChEBI Name12'-O-acetylisariotin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35NO8
Net Charge0
Average Mass453.532
Monoisotopic Mass453.23627
SMILESCC(=O)OCCCCCCCCC/C=C/C(=O)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/C23H35NO8/c1-14(25)31-12-10-8-6-4-2-3-5-7-9-11-16(26)24-15-13-23(30)21(29)17(18(15)27)19(28)20-22(23)32-20/h9,11,15,17-20,22,27-28,30H,2-8,10,12-13H2,1H3,(H,24,26)/b11-9+/t15-,17-,18-,19-,20-,22-,23+/m0/s1
InChIKeyDAERPJXYZYHGTA-UFQSUENISA-N
Species of MetaboliteComponentSourceComments
Gibellula formosana (ncbitaxon:219212) - DOI (10.1016/j.tet.2012.05.020)
ChEBI Ontology
Outgoing Relation(s)
12'-O-acetylisariotin A (CHEBI:204299) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(E)-12-oxo-12-[[(1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]amino]dodec-10-enyl] acetate
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78437119ChemSpider