COMPOUND: C21169
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Entry
C21169 Compound
Name
N1,N8-Bis(4-coumaroyl)spermidine;
N1,N10-Dicoumaroyl spermidine
Formula
C25H31N3O4
Exact mass
437.2315
Mol weight
437.5313
Structure
Mol file
KCF file
DB search
Reaction
R11200
Enzyme
2.3.1.249
Other DBs
PubChem:
313369429
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KCF data
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ATOM 32
1 C8x C 5.8801 -14.4202
2 C8y C 5.8801 -15.8202
3 C8x C 7.0926 -16.5202
4 C8x C 8.3051 -15.8202
5 C8y C 8.3051 -14.4202
6 C8x C 7.0926 -13.7202
7 C2b C 9.5426 -13.7202
8 C2b C 10.7551 -14.4202
9 C5a C 11.9675 -13.7202
10 N1b N 13.1800 -14.4202
11 C1b C 14.3925 -13.7202
12 C1b C 15.6049 -14.4202
13 C1b C 16.8173 -13.7202
14 N1b N 18.0298 -14.4202
15 C1b C 19.2423 -13.7202
16 C1b C 20.4548 -14.4202
17 C1b C 21.6672 -13.7202
18 C1b C 22.8796 -14.4202
19 N1b N 24.0922 -13.7202
20 C5a C 25.3046 -14.4202
21 C2b C 26.5170 -13.7202
22 C2b C 27.7295 -14.4202
23 C8y C 28.9419 -13.7202
24 O1a O 4.6677 -16.5202
25 O5a O 11.9675 -12.3202
26 O5a O 25.3046 -15.8198
27 C8x C 30.1544 -14.4202
28 C8x C 31.3669 -13.7202
29 C8y C 31.3669 -12.3202
30 C8x C 30.1544 -11.6202
31 C8x C 28.9419 -12.3202
32 O1a O 32.5746 -11.6229
BOND 33
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 2
23 22 23 1
24 2 24 1
25 9 25 2
26 20 26 2
27 23 27 2
28 27 28 1
29 28 29 2
30 29 30 1
31 30 31 2
32 23 31 1
33 29 32 1
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