| | COMPOUND: C05804 | |
Entry |
|
Name |
2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
|
Formula |
C38H56O3
|
Exact mass |
560.4229
|
Mol weight |
560.8494
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Structure |
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Other DBs |
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KCF data |
ATOM 41
1 C1b C 22.0389 -20.3555
2 C2b C 23.2603 -19.6514
3 C2c C 24.4816 -20.3555
4 C1a C 25.6959 -19.6514
5 C1a C 24.4816 -21.7636
6 C1b C 17.1596 -20.3555
7 C2b C 18.3810 -19.6514
8 C2c C 19.6024 -20.3555
9 C1b C 20.8167 -19.6514
10 C1a C 19.6024 -21.7636
11 C2y C 15.9355 -19.6559
12 C5x C 14.7701 -20.3435
13 C2y C 15.9355 -18.2914
14 C2y C 13.5744 -19.6559
15 O5x O 14.7701 -21.7084
16 C5x C 14.7701 -17.6084
17 C1a C 17.1488 -17.5908
18 C2x C 13.5744 -18.2914
19 O2a O 12.3542 -20.3552
20 O5x O 14.7701 -16.2086
21 C1a C 11.1480 -19.6559
22 C1b C 17.1596 -20.3555
23 C2b C 18.3810 -19.6514
24 C2c C 19.6024 -20.3555
25 C1b C 20.8167 -19.6514
26 C1a C 19.6024 -21.7636
27 C1b C 17.1596 -20.3555
28 C2b C 18.3810 -19.6514
29 C2c C 19.6024 -20.3555
30 C1b C 20.8167 -19.6514
31 C1a C 19.6024 -21.7636
32 C1b C 17.1596 -20.3555
33 C2b C 18.3810 -19.6514
34 C2c C 19.6024 -20.3555
35 C1b C 20.8167 -19.6514
36 C1a C 19.6024 -21.7636
37 C1b C 17.1596 -20.3555
38 C2b C 18.3810 -19.6514
39 C2c C 19.6024 -20.3555
40 C1b C 20.8167 -19.6514
41 C1a C 19.6024 -21.7636
BOND 41
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 13 17 1
11 14 18 2
12 14 19 1
13 16 20 2
14 19 21 1
15 16 18 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 37 11 1
BRACKET 1 16.7300 -20.8600 16.7300 -19.1800
1 21.1400 -19.4600 21.1400 -21.3500
1 5
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
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