CHEBI:140653 - 18-hydroxyjacobine

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ChEBI Name 18-hydroxyjacobine
ChEBI ID CHEBI:140653
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H25NO7
Net Charge 0
Average Mass 367.394
Monoisotopic Mass 367.16310
InChI InChI=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
InChIKey GPJKPWCJOWTBJY-WKMWQDDRSA-N
SMILES [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4(N(CC=C4COC([C@]([C@@H](C2)C)(CO)O)=O)CC3)[H])=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Last Modified
01 May 2018