| Entry |
|
|---|
| Name |
p-Coumaroyl-diketide-CoA;
(4-Coumaroyl)acetyl-CoA
|
|---|
| Formula |
C32H44N7O19P3S
|
|---|
| Exact mass |
955.1626
|
|---|
| Mol weight |
955.72
|
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| Structure |
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|---|
| Reaction |
|
|---|
| Pathway |
| map00945 | Stilbenoid, diarylheptanoid and gingerol biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 62
1 C1b C 13.6500 -20.7900
2 C5a C 12.4600 -20.0900
3 C2b C 11.2700 -20.7900
4 O5a O 12.4600 -18.6900
5 C2b C 10.0800 -20.0900
6 C8y C 8.8900 -20.7900
7 C8x C 8.8900 -22.1900
8 C8x C 7.6300 -22.8900
9 C8y C 6.4400 -22.1900
10 C8x C 6.4400 -20.7900
11 C8x C 7.6300 -20.0900
12 O1a O 5.2500 -22.8900
13 C5a C 14.9100 -20.0900
14 S2a S 16.1000 -20.7900
15 C1b C 17.2900 -20.0900
16 C1b C 18.5500 -20.7900
17 N1b N 19.7400 -20.0900
18 C5a C 20.9300 -20.7900
19 C1b C 22.1900 -20.0900
20 C1b C 23.3800 -20.7900
21 N1b N 24.5700 -20.0900
22 C5a C 25.8300 -20.7900
23 C1c C 27.0200 -20.0900
24 C1d C 28.2100 -20.7900
25 C1b C 29.4000 -20.0900
26 O2b O 30.6600 -20.7900
27 O5a O 14.9100 -18.6900
28 O5a O 20.9300 -22.1900
29 O5a O 25.8300 -22.1900
30 O1a O 27.0200 -18.6900
31 C1a C 28.2100 -19.3900
32 C1a C 28.2100 -22.1900
33 P1b P 32.0600 -20.7900
34 O1c O 33.4600 -20.7900
35 O1c O 32.0600 -22.1900
36 C1y C 25.5500 -15.8200
37 C1y C 26.9500 -15.8200
38 C1y C 27.3700 -14.4900
39 O2x O 26.2500 -13.6500
40 C1y C 25.1300 -14.4900
41 C1b C 28.7000 -14.0700
42 O1a O 24.7100 -16.9400
43 O2b O 27.7900 -16.9400
44 P1b P 29.1900 -16.9400
45 O1c O 29.1900 -15.5400
46 O1c O 30.5900 -16.9400
47 O1c O 29.1900 -18.3400
48 C8y C 21.0000 -12.6700
49 C8y C 21.0000 -14.0700
50 N4y N 23.4500 -14.0700
51 C8x C 23.4500 -12.6700
52 N5x N 22.1900 -11.9700
53 C8y C 19.8100 -11.9700
54 N5x N 18.5500 -12.6700
55 C8x C 18.5500 -14.0700
56 N5x N 19.8100 -14.7700
57 N1a N 19.8100 -10.5700
58 O2b O 30.6600 -14.4900
59 P1b P 32.0600 -14.4900
60 O1c O 32.0600 -13.0900
61 O1c O 33.4600 -14.4900
62 O2c O 32.0600 -17.7100
BOND 65
1 1 2 1
2 2 3 1
3 2 4 2
4 3 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 6 11 1
12 9 12 1
13 1 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 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 13 27 2
28 18 28 2
29 22 29 2
30 23 30 1 #Down
31 24 31 1
32 24 32 1
33 26 33 1
34 33 34 2
35 33 35 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 36 40 1
41 38 41 1 #Down
42 36 42 1 #Up
43 37 43 1 #Up
44 43 44 1
45 44 45 1
46 44 46 1
47 44 47 2
48 48 49 2
49 49 50 1
50 50 51 1
51 51 52 2
52 48 52 1
53 48 53 1
54 53 54 2
55 54 55 1
56 55 56 2
57 49 56 1
58 53 57 1
59 40 50 1 #Down
60 41 58 1
61 58 59 1
62 59 60 1
63 59 61 2
64 59 62 1
65 33 62 1
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