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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2532 - Akuammine
Main
ChEBI Ontology
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ChEBI Name
Akuammine
ChEBI ID
CHEBI:2532
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C22H26N2O4
Net Charge
0
Average Mass
382.454
Monoisotopic Mass
382.18926
InChI
InChI=1S/C22H26N2O4/c1-
4-
13-
11-
24-
8-
7-
21-
16-
9-
14(25)
5-
6-
17(16)
23(2)
22(21)
18(24)
10-
15(13)
20(21,12-
28-
22)
19(26)
27-
3/h4-
6,9,15,18,25H,7-
8,10-
12H2,1-
3H3/b13-
4-
/t15-
,18+,20?,21+,22-
/m1/s1
InChIKey
YILKZADAWNUTTB-HWIVZZNESA-N
SMILES
COC(=O)C12CO[C@]34[C@@H]5C[C@@H]1\C(CN5CC[C@]23c1cc(O)ccc1N4C)=C/C
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
Akuammine (
CHEBI:2532
)
is a
alkaloid (
CHEBI:22315
)
Akuammine (
CHEBI:2532
)
is a
methyl ester (
CHEBI:25248
)
Synonym
Source
Akuammine
KEGG COMPOUND
Manual Xrefs
Databases
C00001682
KNApSAcK
C09027
KEGG COMPOUND
View more database links
Registry Number
Type
Source
3512-87-6
CAS Registry Number
KEGG COMPOUND
Last Modified
09 March 2018