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CHEBI:202203 - Isariotin C

ChEBI IDCHEBI:202203
ChEBI NameIsariotin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31NO7
Net Charge0
Average Mass409.479
Monoisotopic Mass409.21005
SMILESCCCCCC(=O)CCC/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/C21H31NO7/c1-2-3-5-8-12(23)9-6-4-7-10-14(24)22-13-11-21(28)19(27)15(16(13)25)17(26)18-20(21)29-18/h7,10,13,15-18,20,25-26,28H,2-6,8-9,11H2,1H3,(H,22,24)/b10-7+/t13-,15-,16-,17-,18-,20-,21+/m0/s1
InChIKeyBDPGWFYYYPWIAE-YPPQQAOGSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - PubMed (17822299)
ChEBI Ontology
Outgoing Relation(s)
Isariotin C (CHEBI:202203) is a oxacycle (CHEBI:38104)
IUPAC Name 
(E)-7-oxo-N-[(1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]dodec-2-enamide
Manual XrefsDatabases
23311652ChemSpider