 | | COMPOUND: C20595 | |
| Entry |
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| Name |
20,21-Diprenylterpendole C
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| Formula |
C42H57NO5
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| Exact mass |
655.4237
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| Mol weight |
655.90
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| Structure |
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| Comment |
hypothetical intermediate of lolitrem B 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 13.2300 -14.9800
2 C1b C 13.2300 -16.3800
3 C2c C 12.0400 -14.2800
4 C1a C 10.8500 -14.9800
5 C1a C 11.6900 -12.8800
6 C8y C 14.4900 -17.0100
7 C8x C 14.4900 -18.4100
8 C8x C 15.7500 -19.1100
9 C8y C 16.9400 -18.4100
10 C8y C 16.9400 -17.0100
11 C8y C 15.7500 -16.3100
12 N4x N 18.3400 -18.9000
13 C8y C 19.1800 -17.7100
14 C8y C 18.3400 -16.5900
15 C1z C 20.4400 -17.2900
16 C1y C 20.4400 -15.9600
17 C1x C 19.1800 -15.5400
18 C1z C 21.7000 -17.9200
19 C1z C 22.8900 -17.2900
20 C1x C 22.8900 -15.9600
21 C1x C 21.7000 -15.2600
22 C1x C 21.7000 -19.3900
23 C1x C 22.8900 -20.0900
24 C1y C 24.0800 -19.3900
25 C1z C 24.0800 -17.9200
26 O2x O 25.2000 -20.0900
27 C1y C 26.3900 -19.3900
28 C1y C 26.3900 -17.9200
29 C1y C 25.2000 -17.2900
30 C1a C 20.5100 -18.7600
31 C1z C 27.6500 -20.0900
32 C1a C 21.1400 -16.4500
33 O2x O 28.8400 -19.3900
34 C1a C 27.6500 -21.7000
35 C1a C 28.8400 -20.7900
36 O2x O 25.2000 -18.6900
37 O2x O 27.5800 -17.2200
38 O1a O 23.8700 -16.3100
39 C1y C 28.8400 -17.9900
40 C2b C 30.0300 -17.2900
41 C2c C 30.0300 -15.9600
42 C1a C 31.2200 -15.2600
43 C1a C 28.8400 -15.1900
44 C1b C 15.7500 -14.9800
45 C2b C 14.4200 -14.2800
46 C2c C 14.4200 -12.8100
47 C1a C 15.6800 -12.1100
48 C1a C 13.4400 -11.8300
BOND 55
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 #Down
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
55 37 39 1
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