COMPOUND: C18069
Help
Entry
C18069 Compound
Name
N1,N5,N10-Tricoumaroyl spermidine
Formula
C34H37N3O6
Exact mass
583.2682
Mol weight
583.6741
Structure
Mol file
KCF file
DB search
Reaction
R08983
R08984
Pathway
map00940
Phenylpropanoid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem:
96024287
ChEBI:
61514
NIKKAJI:
J346.406G
LinkDB
All DBs
KCF data
Show
ATOM 43
1 C8x C 7.4200 -11.2700
2 C8y C 7.4200 -12.6700
3 C8x C 8.6324 -13.3700
4 C8x C 9.8449 -12.6700
5 C8y C 9.8449 -11.2700
6 C8x C 8.6324 -10.5700
7 C2b C 11.0824 -10.5700
8 C2b C 12.2949 -11.2700
9 C5a C 13.5073 -10.5700
10 N1b N 14.7197 -11.2700
11 C1b C 15.9322 -10.5700
12 C1b C 17.1446 -11.2700
13 C1b C 18.3570 -10.5700
14 N1c N 19.5695 -11.2700
15 C1b C 20.7819 -10.5700
16 C1b C 21.9944 -11.2700
17 C1b C 23.2068 -10.5700
18 C1b C 24.4192 -11.2700
19 N1b N 25.6317 -10.5700
20 C5a C 26.8441 -11.2700
21 C2b C 28.0565 -10.5700
22 C2b C 29.2690 -11.2700
23 C8y C 30.4814 -10.5700
24 O1a O 6.2076 -13.3700
25 O5a O 13.5073 -9.1700
26 C5a C 19.5695 -12.6700
27 O5a O 18.3801 -13.3570
28 C2b C 20.8047 -13.3833
29 C2b C 20.8047 -14.7833
30 C8y C 22.0171 -15.4833
31 C8x C 22.0171 -16.8833
32 C8x C 23.2296 -17.5833
33 C8y C 24.4420 -16.8833
34 C8x C 24.4420 -15.4833
35 C8x C 23.2296 -14.7833
36 O1a O 25.6397 -17.5747
37 O5a O 26.8441 -12.6696
38 C8x C 31.6938 -11.2700
39 C8x C 32.9063 -10.5700
40 C8y C 32.9063 -9.1700
41 C8x C 31.6938 -8.4700
42 C8x C 30.4814 -9.1700
43 O1a O 34.1140 -8.4727
BOND 45
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 14 26 1
27 26 27 2
28 26 28 1
29 28 29 2
30 29 30 1
31 30 31 1
32 31 32 2
33 32 33 1
34 33 34 2
35 34 35 1
36 30 35 2
37 33 36 1
38 20 37 2
39 23 38 2
40 38 39 1
41 39 40 2
42 40 41 1
43 41 42 2
44 23 42 1
45 40 43 1
» Japanese version
DBGET
integrated database retrieval system