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CHEBI:140653 - 18-hydroxyjacobine

ChEBI IDCHEBI:140653
ChEBI Name18-hydroxyjacobine
Stars
Last Modified1 May 2018
Submittermwilliams
DownloadsMolfile
FormulaC18H25NO7
Net Charge0
Average Mass367.398
Monoisotopic Mass367.16310
SMILES[H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@]1(C[C@@H](C)[C@](O)(CO)C(=O)OC3)O[C@H]1C
InChIInChI=1S/C18H25NO7/c1-10-7-18(11(2)26-18)16(22)25-13-4-6-19-5-3-12(14(13)19)8-24-15(21)17(10,23)9-20/h3,10-11,13-14,20,23H,4-9H2,1-2H3/t10-,11+,13-,14-,17-,18+/m1/s1
InChIKeyGPJKPWCJOWTBJY-WKMWQDDRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
18-hydroxyjacobine (CHEBI:140653) has functional parent jacobine (CHEBI:6080)
18-hydroxyjacobine (CHEBI:140653) is a pyrrolizine alkaloid (CHEBI:38521)
IUPAC Name 
(15S,20S)-12,18-dihydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione