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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28463 - aspidospermine
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ChEBI Ontology
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ChEBI Name
aspidospermine
ChEBI ID
CHEBI:28463
Definition
An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2889, CHEBI:22665
Supplier Information
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Formula
C22H30N2O2
Net Charge
0
Average Mass
354.48580
Monoisotopic Mass
354.23073
InChI
InChI=1S/C22H30N2O2/c1-
4-
21-
10-
6-
13-
23-
14-
12-
22(20(21)
23)
16-
7-
5-
8-
17(26-
3)
19(16)
24(15(2)
25)
18(22)
9-
11-
21/h5,7-
8,18,20H,4,6,9-
14H2,1-
3H3/t18-
,20-
,21-
,22-
/m1/s1
InChIKey
ARQOGCYMPUOVHK-ZHHKINOHSA-N
SMILES
[H][C@@]12CC[C@@]3(CC)CCCN4CC[C@]1(c1cccc(OC)c1N2C(C)=O)[C@@]34[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
aspidospermine (
CHEBI:28463
)
has parent hydride
aspidospermidine (
CHEBI:38486
)
aspidospermine (
CHEBI:28463
)
is a
indole alkaloid (
CHEBI:38958
)
IUPAC Name
1-(17-methoxyaspidospermidin-1-yl)ethanone
Synonyms
Sources
(-)-Aspidospermine
ChemIDplus
1-Acetyl-17-methoxyaspidospermidine
ChemIDplus
Aspidospermine
KEGG COMPOUND
Manual Xrefs
Databases
C00024452
KNApSAcK
C00024465
KNApSAcK
C09042
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
466-49-9
CAS Registry Number
KEGG COMPOUND
466-49-9
CAS Registry Number
ChemIDplus
48882
Reaxys Registry Number
Reaxys
48882
Beilstein Registry Number
ChemIDplus
Citations
Types
Sources
1206502
PubMed citation
Europe PMC
17623291
PubMed citation
Europe PMC
18098818
PubMed citation
Europe PMC
5842754
PubMed citation
Europe PMC
7841224
PubMed citation
Europe PMC
Last Modified
28 July 2014