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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2523 - ajaconine
Main
ChEBI Ontology
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ChEBI Name
ajaconine
ChEBI ID
CHEBI:2523
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula
C22H33NO3
Net Charge
0
Average Mass
359.50236
Monoisotopic Mass
359.24604
InChI
InChI=1S/C22H33NO3/c1-
13-
14-
4-
7-
22(18(13)
25)
16(10-
14)
21-
6-
3-
5-
20(2)
12-
23(8-
9-
24)
19(21)
26-
17(22)
11-
15(20)
21/h14-
19,24-
25H,1,3-
12H2,2H3/t14-
,15+,16-
,17+,18+,19?,20-
,21-
,22+/m0/s1
InChIKey
RLXRCZIALRMBJR-VRMMQTGXSA-N
SMILES
[H][C@@]12C[C@H]3OC4N(CCO)C[C@]1(C)CCC[C@@]24[C@]1([H])C[C@@H]2CC[C@]31[C@H](O)C2=C
Metabolite of Species
Details
Consolida orientalis
(NCBI:txid565971)
Found in aerial part
(BTO:0001658)
. 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ajaconine (
CHEBI:2523
)
has parent hydride
atidane (
CHEBI:35919
)
ajaconine (
CHEBI:2523
)
has role
plant metabolite (
CHEBI:76924
)
ajaconine (
CHEBI:2523
)
is a
cyclic ether (
CHEBI:37407
)
ajaconine (
CHEBI:2523
)
is a
diterpenoid (
CHEBI:23849
)
ajaconine (
CHEBI:2523
)
is a
olefinic compound (
CHEBI:78840
)
ajaconine (
CHEBI:2523
)
is a
organic heterohexacyclic compound (
CHEBI:51914
)
ajaconine (
CHEBI:2523
)
is a
primary alcohol (
CHEBI:15734
)
ajaconine (
CHEBI:2523
)
is a
secondary alcohol (
CHEBI:35681
)
ajaconine (
CHEBI:2523
)
is a
tertiary amino compound (
CHEBI:50996
)
IUPAC Name
7α,20-epoxy-21-(2-hydroxyethyl)-4-methylatid-16-en-15β-ol
Synonym
Source
Ajaconine
KEGG COMPOUND
Manual Xrefs
Databases
C00001612
KNApSAcK
C08656
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
43880
Reaxys Registry Number
Reaxys
545-61-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15133202
PubMed citation
Europe PMC
5645066
PubMed citation
Europe PMC
8864243
PubMed citation
Europe PMC
Last Modified
30 January 2015