CHEBI:205962 - 13(a)-Acetoxy-anhydroisoheximide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 13(a)-Acetoxy-anhydroisoheximide
ChEBI ID CHEBI:205962
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H23NO5
Net Charge 0
Average Mass 321.373
Monoisotopic Mass 321.15762
InChI InChI=1S/C17H23NO5/c1-10-8-17(3,23-11(2)19)9-13(16(10)22)5-4-12-6-14(20)18-15(21)7-12/h5,10,12H,4,6-9H2,1-3H3,(H,18,20,21)/b13-5+/t10-,17-/m1/s1
InChIKey OYHDNVYRXVFVIC-WKHVRVIBSA-N
SMILES O=C1/C(=C/CC2CC(=O)NC(C2)=O)/C[C@@](OC(=O)C)(C)C[C@H]1C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 13(a)-Acetoxy-anhydroisoheximide (CHEBI:205962) is a tetrahydropyridine (CHEBI:26921)
IUPAC Name
[(1R,3E,5R)-3-[2-(2,6-dioxopiperidin-4-yl)ethylidene]-1,5-dimethyl-4-oxocyclohexyl] acetate