 | | COMPOUND: C18071 | |
| Entry |
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| Name |
N1,N5,N10-Triferuloyl spermidine
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| Formula |
C37H43N3O9
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| Exact mass |
673.2999
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| Mol weight |
673.752
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| Structure |
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| Reaction |
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
1.14.13.- 2.1.1.-
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| Other DBs |
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| KCF data |
ATOM 49
1 C8y C 8.1933 -14.6360
2 C8y C 8.1933 -16.0366
3 C8x C 9.4063 -16.7369
4 C8x C 10.6193 -16.0366
5 C8y C 10.6193 -14.6360
6 C8x C 9.4063 -13.9357
7 C2b C 11.8572 -13.9357
8 C2b C 13.0702 -14.6360
9 C5a C 14.2832 -13.9357
10 N1b N 15.4962 -14.6360
11 C1b C 16.7091 -13.9357
12 C1b C 17.9220 -14.6360
13 C1b C 19.1349 -13.9357
14 N1c N 20.3479 -14.6360
15 C1b C 21.5609 -13.9357
16 C1b C 22.7738 -14.6360
17 C1b C 23.9867 -13.9357
18 C1b C 25.1996 -14.6360
19 N1b N 26.4127 -13.9357
20 C5a C 27.6255 -14.6360
21 C2b C 28.8384 -13.9357
22 C2b C 30.0514 -14.6360
23 C8y C 31.2643 -13.9357
24 O1a O 6.9804 -16.7369
25 O5a O 14.2832 -12.5351
26 C5a C 20.3479 -16.0366
27 O5a O 19.1580 -16.7238
28 C2b C 21.5837 -16.7502
29 C2b C 21.5837 -18.1509
30 C8y C 22.7965 -18.8512
31 C8x C 22.7965 -20.2517
32 C8x C 24.0095 -20.9520
33 C8y C 25.2224 -20.2517
34 C8y C 25.2224 -18.8512
35 C8x C 24.0095 -18.1509
36 O1a O 26.4207 -20.9434
37 O5a O 27.6255 -16.0362
38 C8x C 32.4773 -14.6360
39 C8y C 33.6902 -13.9357
40 C8y C 33.6902 -12.5351
41 C8x C 32.4773 -11.8348
42 C8x C 31.2643 -12.5351
43 O1a O 34.8984 -11.8375
44 O2a O 6.9802 -13.9355
45 O2a O 26.4318 -18.1529
46 O2a O 34.8978 -14.6329
47 C1a C 5.7850 -14.6256
48 C1a C 27.6550 -18.8594
49 C1a C 36.1354 -13.9180
BOND 51
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
46 1 44 1
47 34 45 1
48 39 46 1
49 44 47 1
50 45 48 1
51 46 49 1
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