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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81221 - Kukoamine B
Main
ChEBI Ontology
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ChEBI Name
Kukoamine B
ChEBI ID
CHEBI:81221
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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SDF
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Formula
C28H42N4O6
Net Charge
0
Average Mass
530.65630
Monoisotopic Mass
530.31044
InChI
InChI=1S/C28H42N4O6/c29-
13-
3-
18-
32(28(38)
12-
8-
22-
6-
10-
24(34)
26(36)
20-
22)
17-
2-
1-
14-
30-
15-
4-
16-
31-
27(37)
11-
7-
21-
5-
9-
23(33)
25(35)
19-
21/h5-
6,9-
10,19-
20,30,33-
36H,1-
4,7-
8,11-
18,29H2,(H,31,37)
InChIKey
IWRAOCFRRTWUDF-UHFFFAOYSA-N
SMILES
NCCCN(CCCCNCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Kukoamine B (
CHEBI:81221
)
is a
amine (
CHEBI:32952
)
Manual Xrefs
Databases
C17616
KEGG COMPOUND
HMDB0060525
HMDB
View more database links