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ChEBI
> Main
CHEBI:36330 - senecionan
Main
ChEBI Ontology
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ChEBI Name
senecionan
ChEBI ID
CHEBI:36330
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C18H29NO2
Net Charge
0
Average Mass
291.429
Monoisotopic Mass
291.21983
InChI
InChI=1S/C18H29NO2/c1-
4-
15-
9-
13(2)
14(3)
10-
20-
12-
16-
5-
7-
19-
8-
6-
17(18(16)
19)
21-
11-
15/h4-
5,13-
14,17-
18H,6-
12H2,1-
3H3/b15-
4-
/t13-
,14-
,17-
,18-
/m1/s1
InChIKey
HJOOXTWCVPOHPT-MNHUKLIDSA-N
SMILES
C1OCC=2[C@@]3([C@H](OC/C(/C[C@H]([C@@H]1C)C)=C(/[H])\C)CCN3CC2)[H]
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
senecionan (
CHEBI:36330
)
is a
alkaloid fundamental parent (
CHEBI:35506
)
senecionan (
CHEBI:36330
)
is a
pyrrolizine alkaloid (
CHEBI:38521
)
Incoming
erucifoline (
CHEBI:136462
)
has functional parent
senecionan (
CHEBI:36330
)
riddelliine (
CHEBI:63924
)
has functional parent
senecionan (
CHEBI:36330
)
senecionine (
CHEBI:9107
)
has functional parent
senecionan (
CHEBI:36330
)
IUPAC Name
senecionan
Synonym
Source
(3
Z
,5
R
,6
S
,14a
R
,14b
R
)-
3-
ethylidene-
5,6-
dimethyl-
2,3,4,5,6,7,9,11,13,14,14a,14b-
dodecahydro[1,6]dioxacyclododecino[2,3,4-
g
h
]pyrrolizine
IUPAC
Last Modified
29 April 2018