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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2887 - Aspidofractine
Main
ChEBI Ontology
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ChEBI Name
Aspidofractine
ChEBI ID
CHEBI:2887
Stars
This entity has been manually annotated by a third party.
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Formula
C22H26N2O3
Net Charge
0
Average Mass
366.454
Monoisotopic Mass
366.19434
InChI
InChI=1S/C22H26N2O3/c1-
27-
18(26)
16-
13-
20-
7-
4-
11-
23-
12-
10-
21(19(20)
23)
15-
5-
2-
3-
6-
17(15)
24(14-
25)
22(16,21)
9-
8-
20/h2-
3,5-
6,14,16,19H,4,7-
13H2,1H3/t16-
,19-
,20+,21+,22+/m0/s1
InChIKey
XGYZDZNXCXHGBV-WVCANSMHSA-N
SMILES
COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5([C@H]24)c2ccccc2N(C=O)[C@]15CC3
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
Aspidofractine (
CHEBI:2887
)
is a
indole alkaloid (
CHEBI:38958
)
Aspidofractine (
CHEBI:2887
)
is a
methyl ester (
CHEBI:25248
)
Synonym
Source
Aspidofractine
KEGG COMPOUND
Manual Xref
Database
C09040
KEGG COMPOUND
View more database links
Registry Number
Type
Source
2348-67-6
CAS Registry Number
KEGG COMPOUND
Last Modified
09 March 2018