CHEBI:5294 - Gelsemine

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ChEBI Name Gelsemine
ChEBI ID CHEBI:5294
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22N2O2
Net Charge 0
Average Mass 322.402
Monoisotopic Mass 322.16813
InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13?,15+,16+,17-,19-,20-/m0/s1
InChIKey NFYYATWFXNPTRM-ICFOCEFXSA-N
SMILES CN1C[C@@]2(C=C)C3C[C@H]4OC[C@@H]3[C@@H]1[C@@H]2[C@@]41C(=O)Nc2ccccc12
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 )
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ChEBI Ontology
Outgoing Gelsemine (CHEBI:5294) is a indole alkaloid (CHEBI:38958)
Synonym Source
Gelsemine KEGG COMPOUND
Manual Xrefs Databases
C00001734 KNApSAcK
C09207 KEGG COMPOUND
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Registry Number Type Source
509-15-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014