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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5294 - Gelsemine
Main
ChEBI Ontology
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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
)
View more via ChEBI Ontology
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
View more database links
Registry Number
Type
Source
509-15-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014