CHEBI:181110 - Gelsemin

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ChEBI Name Gelsemin
ChEBI ID CHEBI:181110
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H22N2O2
Net Charge 0
Average Mass 322.408
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)
InChIKey NFYYATWFXNPTRM-UHFFFAOYSA-N
SMILES O1C2C3(C4C5(C(C(C4N(C5)C)C1)C2)C=C)C=6C(NC3=O)=CC=CC6
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 Gelsemin (CHEBI:181110) is a indole alkaloid (CHEBI:38958)
IUPAC Name
2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
Manual Xref Database
245682 ChemSpider
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