 | | COMPOUND: C17741 | |
| Entry |
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| Name |
Feruloyl-diketide-CoA;
Feruloylacetyl-CoA
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| Formula |
C33H46N7O20P3S
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| Exact mass |
985.1731
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| Mol weight |
985.7395
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| Structure |
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| Reaction |
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| Pathway |
| map00945 | Stilbenoid, diarylheptanoid and gingerol biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 64
1 C1b C 14.3500 -20.7200
2 C5a C 13.1600 -20.0900
3 C2b C 11.9700 -20.7900
4 O5a O 13.1600 -18.6200
5 C2b C 10.7100 -20.1600
6 C8y C 9.5900 -20.9300
7 C8x C 9.5900 -22.2600
8 C8x C 8.4000 -22.9600
9 C8y C 7.1400 -22.2600
10 C8y C 7.1400 -20.9300
11 C8x C 8.4000 -20.2300
12 O2a O 5.9500 -20.2300
13 C1a C 4.7600 -20.8600
14 O1a O 5.9500 -22.9600
15 C5a C 15.6100 -20.0200
16 S2a S 16.8000 -20.7200
17 C1b C 17.9900 -20.0200
18 C1b C 19.2500 -20.7200
19 N1b N 20.4400 -20.0200
20 C5a C 21.6300 -20.7200
21 C1b C 22.8900 -20.0200
22 C1b C 24.0800 -20.7200
23 N1b N 25.2700 -20.0200
24 C5a C 26.5300 -20.7200
25 C1c C 27.7200 -20.0200
26 C1d C 28.9100 -20.7200
27 C1b C 30.1000 -20.0200
28 O2b O 31.3600 -20.7200
29 O5a O 15.6100 -18.6200
30 O5a O 21.6300 -22.1200
31 O5a O 26.5300 -22.1200
32 O1a O 27.7200 -18.6200
33 C1a C 28.9100 -19.3200
34 C1a C 28.9100 -22.1200
35 P1b P 32.7600 -20.7200
36 O1c O 34.1600 -20.7200
37 O1c O 32.7600 -22.1200
38 C1y C 26.2500 -15.7500
39 C1y C 27.6500 -15.7500
40 C1y C 28.0700 -14.4200
41 O2x O 26.9500 -13.5800
42 C1y C 25.8300 -14.4200
43 C1b C 29.4000 -14.0000
44 O1a O 25.4100 -16.8700
45 O2b O 28.4900 -16.8700
46 P1b P 29.8900 -16.8700
47 O1c O 29.8900 -15.4700
48 O1c O 31.2900 -16.8700
49 O1c O 29.8900 -18.2700
50 C8y C 21.7000 -12.6000
51 C8y C 21.7000 -14.0000
52 N4y N 24.1500 -14.0000
53 C8x C 24.1500 -12.6000
54 N5x N 22.8900 -11.9000
55 C8y C 20.5100 -11.9000
56 N5x N 19.2500 -12.6000
57 C8x C 19.2500 -14.0000
58 N5x N 20.5100 -14.7000
59 N1a N 20.5100 -10.5000
60 O2b O 31.3600 -14.4200
61 P1b P 32.7600 -14.4200
62 O1c O 32.7600 -13.0200
63 O1c O 34.1600 -14.4200
64 O2c O 32.7600 -17.6400
BOND 67
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 10 12 1
13 12 13 1
14 9 14 1
15 1 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 26 27 1
28 27 28 1
29 15 29 2
30 20 30 2
31 24 31 2
32 25 32 1 #Down
33 26 33 1
34 26 34 1
35 28 35 1
36 35 36 2
37 35 37 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 38 42 1
43 40 43 1 #Down
44 38 44 1 #Up
45 39 45 1 #Up
46 45 46 1
47 46 47 1
48 46 48 1
49 46 49 2
50 50 51 2
51 51 52 1
52 52 53 1
53 53 54 2
54 50 54 1
55 50 55 1
56 55 56 2
57 56 57 1
58 57 58 2
59 51 58 1
60 55 59 1
61 42 52 1 #Down
62 43 60 1
63 60 61 1
64 61 62 1
65 61 63 2
66 61 64 1
67 35 64 1
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» Japanese version
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