| | COMPOUND: C05814 | |
Entry |
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Name |
2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
|
Formula |
C48H72O3
|
Exact mass |
696.5481
|
Mol weight |
697.0835
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Structure |
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Other DBs |
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KCF data |
ATOM 51
1 C1b C 31.7800 -20.3700
2 C2b C 33.0400 -19.6700
3 C2c C 34.3000 -20.3700
4 C1a C 35.6300 -19.6700
5 C1a C 34.3000 -21.6300
6 C1b C 26.6700 -20.3700
7 C2b C 27.9300 -19.6700
8 C2c C 29.1900 -20.3700
9 C1b C 30.4500 -19.6700
10 C1a C 29.1900 -21.6300
11 C2y C 25.3400 -19.7400
12 C5x C 24.2200 -20.3700
13 C2y C 25.3400 -18.3400
14 C2y C 23.0300 -19.7400
15 O5x O 24.2200 -21.7000
16 C5x C 24.2200 -17.7100
17 C2x C 23.0300 -18.3400
18 O2a O 21.8400 -20.3700
19 C1a C 20.6500 -19.6700
20 O5x O 24.2378 -16.3101
21 C1a C 26.5485 -17.6332
22 C1b C 26.6700 -20.3700
23 C2b C 27.9300 -19.6700
24 C2c C 29.1900 -20.3700
25 C1b C 30.4500 -19.6700
26 C1a C 29.1900 -21.6300
27 C1b C 26.6700 -20.3700
28 C2b C 27.9300 -19.6700
29 C2c C 29.1900 -20.3700
30 C1b C 30.4500 -19.6700
31 C1a C 29.1900 -21.6300
32 C1b C 26.6700 -20.3700
33 C2b C 27.9300 -19.6700
34 C2c C 29.1900 -20.3700
35 C1b C 30.4500 -19.6700
36 C1a C 29.1900 -21.6300
37 C1b C 26.6700 -20.3700
38 C2b C 27.9300 -19.6700
39 C2c C 29.1900 -20.3700
40 C1b C 30.4500 -19.6700
41 C1a C 29.1900 -21.6300
42 C1b C 26.6700 -20.3700
43 C2b C 27.9300 -19.6700
44 C2c C 29.1900 -20.3700
45 C1b C 30.4500 -19.6700
46 C1a C 29.1900 -21.6300
47 C1b C 26.6700 -20.3700
48 C2b C 27.9300 -19.6700
49 C2c C 29.1900 -20.3700
50 C1b C 30.4500 -19.6700
51 C1a C 29.1900 -21.6300
BOND 51
1 1 2 1
2 2 3 2
3 3 4 1
4 3 5 1
5 11 12 1
6 11 13 2
7 12 14 1
8 12 15 2
9 13 16 1
10 14 17 2
11 14 18 1
12 18 19 1
13 16 17 1
14 16 20 2
15 13 21 1
16 6 7 1
17 7 8 2
18 8 9 1
19 8 10 1
20 9 1 1
21 22 23 1
22 23 24 2
23 24 25 1
24 24 26 1
25 6 25 1
26 27 28 1
27 28 29 2
28 29 30 1
29 29 31 1
30 22 30 1
31 32 33 1
32 33 34 2
33 34 35 1
34 34 36 1
35 27 35 1
36 37 38 1
37 38 39 2
38 39 40 1
39 39 41 1
40 32 40 1
41 42 43 1
42 43 44 2
43 44 45 1
44 44 46 1
45 37 45 1
46 47 48 1
47 48 49 2
48 49 50 1
49 49 51 1
50 42 50 1
51 47 11 1
BRACKET 1 26.1800 -21.1400 26.1800 -19.0400
1 30.8700 -19.1800 30.8700 -21.2800
1 7
ORIGINAL 1 6 7 8 9 10
REPEAT 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37
1 38 39 40 41 42 43 44 45 46 47 48 49 50 51
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