 | | COMPOUND: C20594 | |
| Entry |
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| Name |
20,21-Diprenylterpendole J
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| Formula |
C42H59NO5
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| Exact mass |
657.4393
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| Mol weight |
657.92
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| Structure |
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| Comment |
hypothetical intermediate of lolitrem E synthesis (see [RN: R10369+ R10367])
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| Reaction |
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| Pathway |
| map00403 | Indole diterpene alkaloid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
1.14.13.-
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| Other DBs |
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| KCF data |
ATOM 48
1 C2b C 11.4100 -14.1400
2 C1b C 11.4100 -15.5400
3 C2c C 10.2200 -13.4400
4 C1a C 9.0300 -14.1400
5 C1a C 9.8700 -12.1100
6 C8y C 12.6700 -16.1700
7 C8x C 12.6700 -17.5700
8 C8x C 13.8600 -18.2700
9 C8y C 15.0500 -17.5700
10 C8y C 15.0500 -16.1700
11 C8y C 13.8600 -15.4700
12 N4x N 16.4500 -18.0600
13 C8y C 17.2900 -16.8700
14 C8y C 16.4500 -15.7500
15 C1z C 18.5500 -16.4500
16 C1y C 18.5500 -15.1200
17 C1x C 17.2900 -14.7000
18 C1z C 19.8100 -17.0800
19 C1z C 21.0000 -16.4500
20 C1x C 21.0000 -15.1200
21 C1x C 19.8100 -14.4200
22 C1x C 19.8100 -18.5500
23 C1x C 21.0000 -19.2500
24 C1y C 22.1900 -18.5500
25 C1z C 22.1900 -17.0800
26 O2x O 23.3100 -19.2500
27 C1y C 24.5000 -18.5500
28 C1y C 24.5000 -17.0800
29 C1y C 23.3100 -16.4500
30 C1a C 18.6200 -17.9200
31 C1d C 25.7600 -19.2500
32 C1a C 19.2500 -15.6100
33 O2a O 26.9500 -18.5500
34 C1a C 25.7600 -20.8600
35 C1a C 26.9500 -19.9500
36 O2x O 23.3100 -17.8500
37 O1a O 25.6900 -16.3800
38 O1a O 21.9800 -15.4700
39 C1b C 26.9500 -17.1500
40 C2b C 28.1400 -16.4500
41 C2c C 28.1400 -15.1200
42 C1a C 29.3300 -14.4200
43 C1a C 26.9500 -14.3500
44 C1b C 13.8600 -14.1400
45 C2b C 12.6000 -13.4400
46 C2c C 12.6000 -12.0400
47 C1a C 13.7900 -11.3400
48 C1a C 11.6200 -11.0600
BOND 54
1 1 2 1
2 1 3 2
3 3 4 1
4 3 5 1
5 6 7 2
6 7 8 1
7 8 9 2
8 9 10 1
9 10 11 2
10 6 11 1
11 9 12 1
12 12 13 1
13 13 14 2
14 10 14 1
15 13 15 1
16 15 16 1
17 16 17 1
18 14 17 1
19 15 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
24 18 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 19 25 1
29 24 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 25 29 1
34 15 30 1 #Down
35 27 31 1 #Up
36 18 32 1 #Up
37 31 33 1
38 31 34 1
39 31 35 1
40 25 36 1 #Down
41 29 36 1 #Down
42 28 37 1 #Down
43 19 38 1 #Down
44 33 39 1
45 39 40 1
46 40 41 2
47 41 42 1
48 41 43 1
49 11 44 1
50 44 45 1
51 45 46 2
52 46 47 1
53 46 48 1
54 2 6 1
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