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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3331 - Calpurnine
Main
ChEBI Ontology
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ChEBI Name
Calpurnine
ChEBI ID
CHEBI:3331
Stars
This entity has been manually annotated by a third party.
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Formula
C20H27N3O3
Net Charge
0
Average Mass
357.447
Monoisotopic Mass
357.20524
InChI
InChI=1S/C20H27N3O3/c24-
19-
5-
1-
4-
17-
13-
9-
14(12-
23(17)
19)
18-
10-
15(6-
8-
22(18)
11-
13)
26-
20(25)
16-
3-
2-
7-
21-
16/h2-
3,7,13-
15,17-
18,21H,1,4-
6,8-
12H2/t13?,14?,15-
,17+,18-
/m0/s1
InChIKey
YFRYJFMFQOBOSY-CMQLYVPTSA-N
SMILES
O=C(O[C@H]1CCN2C[C@H]3C[C@@H](CN4[C@@H]3CCCC4=O)[C@@H]2C1)c1ccc[nH]1
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
Calpurnine (
CHEBI:3331
)
is a
quinolizidine alkaloid (
CHEBI:26515
)
Synonyms
Sources
Calpurnine
KEGG COMPOUND
Hoe 933
KEGG COMPOUND
Manual Xrefs
Databases
C00002214
KNApSAcK
C10757
KEGG COMPOUND
View more database links
Registry Number
Type
Source
6874-80-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014