| Entry |
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| Name |
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| Formula |
C31H44N7O20P3S
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| Exact mass |
959.1575
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| Mol weight |
959.7022
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| Structure |
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| Reaction |
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| Pathway |
| map01061 | Biosynthesis of phenylpropanoids |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C12203 5-Hydroxyferuloyl-CoA
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Coniferyl alcohol derivatives
C12203 5-Hydroxyferuloyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 62
1 C2b C 11.8300 -19.8800
2 C8y C 10.7100 -20.5800
3 C8x C 9.5900 -19.8800
4 C8x C 10.7100 -21.8400
5 C8y C 8.4700 -20.5800
6 C8y C 9.5900 -22.5400
7 C8y C 8.4700 -21.8400
8 O2a O 7.3500 -19.8800
9 O1a O 7.2800 -22.4700
10 O1a O 9.5900 -23.8000
11 C1a C 7.3500 -18.4800
12 S2a S 15.1900 -20.5800
13 C1b C 16.3800 -19.8800
14 C1b C 17.6400 -20.5800
15 N1b N 18.8300 -19.8800
16 C5a C 20.0200 -20.5800
17 C1b C 21.2800 -19.8800
18 C1b C 22.4700 -20.5800
19 N1b N 23.6600 -19.8800
20 C5a C 24.9200 -20.5800
21 C1c C 26.1100 -19.8800
22 C1d C 27.3000 -20.5800
23 C1b C 28.4900 -19.8800
24 O2b O 29.7500 -20.5800
25 O5a O 20.0200 -21.9800
26 O5a O 24.9200 -21.9800
27 O1a O 26.1100 -18.4800
28 C1a C 27.3000 -19.1800
29 C1a C 27.3000 -21.9800
30 P1b P 31.1500 -20.5800
31 O1c O 32.5500 -20.5800
32 O1c O 31.1500 -21.9800
33 C1y C 24.6400 -15.6100
34 C1y C 26.0400 -15.6100
35 C1y C 26.4600 -14.2800
36 O2x O 25.3400 -13.4400
37 C1y C 24.2200 -14.2800
38 C1b C 27.7900 -13.8600
39 O1a O 23.8000 -16.7300
40 O2b O 26.8800 -16.7300
41 P1b P 28.2800 -16.7300
42 O1c O 28.2800 -15.3300
43 O1c O 29.6800 -16.7300
44 O1c O 28.2800 -18.1300
45 C8y C 20.0900 -12.4600
46 C8y C 20.0900 -13.8600
47 N4y N 22.5400 -13.8600
48 C8x C 22.5400 -12.4600
49 N5x N 21.2800 -11.7600
50 C8y C 18.9000 -11.7600
51 N5x N 17.6400 -12.4600
52 C8x C 17.6400 -13.8600
53 N5x N 18.9000 -14.5600
54 N1a N 18.9000 -10.3600
55 O2b O 29.7500 -14.2800
56 P1b P 31.1500 -14.2800
57 O1c O 31.1500 -12.8800
58 O1c O 32.5500 -14.2800
59 O2c O 31.1500 -17.5000
60 C5a C 14.0700 -19.8800
61 C2b C 12.9500 -20.5800
62 O5a O 14.0700 -18.6200
BOND 65
1 1 2 1
2 2 3 2
3 2 4 1
4 3 5 1
5 4 6 2
6 5 7 2
7 5 8 1
8 7 9 1
9 6 7 1
10 6 10 1
11 8 11 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 16 25 2
25 20 26 2
26 21 27 1 #Down
27 22 28 1
28 22 29 1
29 24 30 1
30 30 31 2
31 30 32 1
32 33 34 1
33 34 35 1
34 35 36 1
35 36 37 1
36 33 37 1
37 35 38 1 #Down
38 33 39 1 #Up
39 34 40 1 #Up
40 40 41 1
41 41 42 1
42 41 43 1
43 41 44 2
44 45 46 2
45 46 47 1
46 47 48 1
47 48 49 2
48 45 49 1
49 45 50 1
50 50 51 2
51 51 52 1
52 52 53 2
53 46 53 1
54 50 54 1
55 37 47 1 #Down
56 38 55 1
57 55 56 1
58 56 57 1
59 56 58 2
60 56 59 1
61 30 59 1
62 12 60 1
63 60 61 1
64 60 62 2
65 1 61 2
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