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CHEBI:227181 - Isariotin E

ChEBI IDCHEBI:227181
ChEBI NameIsariotin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31NO5
Net Charge0
Average Mass377.481
Monoisotopic Mass377.22022
SMILESCCCCCCCCCC=CC(=O)N[C@H]1C[C@@]2(O[C@H]1O)C(=O)C=C[C@@H]1O[C@@H]12
InChIInChI=1S/C21H31NO5/c1-2-3-4-5-6-7-8-9-10-11-18(24)22-15-14-21(27-20(15)25)17(23)13-12-16-19(21)26-16/h10-13,15-16,19-20,25H,2-9,14H2,1H3,(H,22,24)/t15-,16-,19-,20+,21+/m0/s1
InChIKeyUDCRDQXRAIZJAO-WPCMGHOJSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - PubMed (19265430)
ChEBI Ontology
Outgoing Relation(s)
Isariotin E (CHEBI:227181) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
N-[(1S,2'R,3'S,5S,6S)-2'-hydroxy-4-oxospiro[7-oxabicyclo[4.1.0]hept-2-ene-5,5'-oxolane]-3'-yl]dodec-2-enamide