CHEBI:227181 - Isariotin E

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ChEBI Name Isariotin E
ChEBI ID CHEBI:227181
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H31NO5
Net Charge 0
Average Mass 377.481
Monoisotopic Mass 377.22022
InChI InChI=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
InChIKey UDCRDQXRAIZJAO-WPCMGHOJSA-N
SMILES O=C1C=C[C@H]2[C@@H]([C@]13O[C@@H](O)[C@H](C3)NC(=O)C=CCCCCCCCCC)O2
Metabolite of Species Details
Isaria (NCBI:txid72232) See: PubMed
ChEBI Ontology
Outgoing 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