| Entry |
|
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| Name |
|
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| Formula |
C32H46N7O20P3S
|
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| Exact mass |
973.1731
|
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| Mol weight |
973.73
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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
C00411 Sinapoyl-CoA
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Sinapate derivatives
C00411 Sinapoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 63
1 C2b C 21.4424 -33.4600
2 C5a C 22.6549 -32.7600
3 S2a S 23.8673 -33.4600
4 C1b C 25.0797 -32.7600
5 C1b C 26.2922 -33.4600
6 N1b N 27.5046 -32.7600
7 C5a C 28.7170 -33.4600
8 C1b C 29.9295 -32.7600
9 C1b C 31.1419 -33.4600
10 N1b N 32.3544 -32.7600
11 C5a C 33.5668 -33.4600
12 C1c C 34.7792 -32.7600
13 C1d C 35.9917 -33.4600
14 C1b C 37.2041 -32.7600
15 O2b O 38.4165 -33.4600
16 O5a O 22.6549 -31.3602
17 O5a O 28.7170 -34.8599
18 O5a O 33.5668 -34.8596
19 O1a O 34.7792 -31.3600
20 C1a C 35.9917 -32.0600
21 C1a C 35.9917 -34.8600
22 P1b P 39.8165 -33.4600
23 O1c O 41.2165 -33.4600
24 O1c O 39.8165 -34.8600
25 C1y C 33.3200 -28.4900
26 C1y C 34.7200 -28.4900
27 C1y C 35.1526 -27.1585
28 O2x O 34.0200 -26.3356
29 C1y C 32.8874 -27.1585
30 C1b C 36.4722 -26.7297
31 O1a O 32.4971 -29.6226
32 O2b O 35.5429 -29.6226
33 P1b P 36.9429 -29.6226
34 O1c O 36.9429 -28.2226
35 O1c O 38.3429 -29.6226
36 O1c O 36.9429 -31.0226
37 C8y C 28.7700 -25.3400
38 C8y C 28.7700 -26.7400
39 N4y N 31.1949 -26.7400
40 C8x C 31.1949 -25.3400
41 N5x N 29.9824 -24.6400
42 C8y C 27.5576 -24.6400
43 N5x N 26.3451 -25.3400
44 C8x C 26.3451 -26.7400
45 N5x N 27.5576 -27.4400
46 N1a N 27.5576 -23.2402
47 O2b O 38.4545 -27.1620
48 P1b P 39.8545 -27.1620
49 O1c O 39.8545 -25.7620
50 O1c O 41.2545 -27.1620
51 O2c O 39.8545 -30.3820
52 C2b C 20.2133 -32.7502
53 C8y C 19.0092 -33.4453
54 C8x C 17.8263 -32.7622
55 C8y C 16.6138 -33.4621
56 C8y C 16.6137 -34.8621
57 C8y C 17.7965 -35.5452
58 C8x C 19.0090 -34.8453
59 O2a O 17.7966 -36.9599
60 O1a O 15.3845 -35.5718
61 O2a O 15.3828 -32.7510
62 C1a C 15.3828 -31.3510
63 C1a C 18.9966 -37.6528
BOND 66
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 2
55 52 53 1
56 53 54 2
57 54 55 1
58 55 56 2
59 56 57 1
60 57 58 2
61 53 58 1
62 57 59 1
63 56 60 1
64 55 61 1
65 61 62 1
66 59 63 1
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