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ChEBI
> Main
CHEBI:132631 - senbusine A
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ChEBI Ontology
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ChEBI Name
senbusine A
ChEBI ID
CHEBI:132631
Definition
A diterpene alkaloid with formula C
23
H
37
NO
6
that is isolated from several
Aconitum
species.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C23H37NO6
Net Charge
0
Average Mass
423.544
Monoisotopic Mass
423.26209
InChI
InChI=1S/C23H37NO6/c1-
4-
24-
9-
21(10-
29-
2)
6-
5-
14(25)
23-
12-
7-
11-
13(30-
3)
8-
22(28,15(12)
17(11)
26)
16(20(23)
24)
18(27)
19(21)
23/h11-
20,25-
28H,4-
10H2,1-
3H3/t11-
,12-
,13+,14+,15-
,16+,17+,18+,19-
,20?,21+,22-
,23+/m1/s1
InChIKey
FNRMXORIKJLSGX-LZJIYQGWSA-N
SMILES
[C@@]
123C4[C@@]
([C@]
5(C[C@@H]
([C@]
6(C[C@@]
1([C@@]
5([C@H]
6O)
[H]
)
[H]
)
[H]
)
OC)
O)
([C@@H]
([C@@]
2([C@]
(CC[C@@H]
3O)
(COC)
CN4CC)
[H]
)
O)
[H]
Metabolite of Species
Details
Aconitum napellus
(NCBI:txid112591)
See:
PubMed
Aconitum soongaricum
(NCBI:txid568276)
Found in root
(BTO:0001188)
. See:
PubMed
Aconitum hemsleyanum
var.
circinatum
(NCBI:txid632157)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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
senbusine A (
CHEBI:132631
)
has parent hydride
aconitane (
CHEBI:35911
)
senbusine A (
CHEBI:132631
)
has role
plant metabolite (
CHEBI:76924
)
senbusine A (
CHEBI:132631
)
is a
bridged compound (
CHEBI:35990
)
senbusine A (
CHEBI:132631
)
is a
diether (
CHEBI:46786
)
senbusine A (
CHEBI:132631
)
is a
diterpene alkaloid (
CHEBI:23847
)
senbusine A (
CHEBI:132631
)
is a
organic heteropolycyclic compound (
CHEBI:38166
)
senbusine A (
CHEBI:132631
)
is a
secondary alcohol (
CHEBI:35681
)
senbusine A (
CHEBI:132631
)
is a
tertiary alcohol (
CHEBI:26878
)
senbusine A (
CHEBI:132631
)
is a
tertiary amino compound (
CHEBI:50996
)
senbusine A (
CHEBI:132631
)
is a
tetrol (
CHEBI:33573
)
IUPAC Name
20-ethyl-16β-methoxy-4-(methoxymethyl)aconitane-1α,6α,8,14α-tetrol
Synonym
Source
(1α,6α,14α,16β)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,6,8,14-tetrol
IUPAC
Manual Xref
Database
C00028990
KNApSAcK
View more database links
Registry Numbers
Types
Sources
22870075
Reaxys Registry Number
Reaxys
6874599
Reaxys Registry Number
Reaxys
7827809
Reaxys Registry Number
Reaxys
82202-95-7
CAS Registry Number
ChemIDplus
82202-95-7
CAS Registry Number
KNApSAcK
Citations
Types
Sources
17432903
PubMed citation
Europe PMC
23876370
PubMed citation
Europe PMC
26240038
PubMed citation
Europe PMC
27328130
PubMed citation
Europe PMC
377646
Chinese Abstracts citation
Europe PMC
Last Modified
25 November 2016