 | | COMPOUND: C05805 | |
| Entry |
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| Name |
2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
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| Formula |
C38H56O4
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| Exact mass |
576.4179
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| Mol weight |
576.8488
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| Structure |
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| Other DBs |
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| KCF data |
ATOM 42
1 C1b C 22.0543 -20.3429
2 C2b C 23.2755 -19.6389
3 C2c C 24.4967 -20.3429
4 C1a C 25.7107 -19.6389
5 C1a C 24.4967 -21.7508
6 C1b C 17.1766 -20.3429
7 C2b C 18.3978 -19.6389
8 C2c C 19.6189 -20.3429
9 C1b C 20.8332 -19.6389
10 C1a C 19.6189 -21.7508
11 C2y C 15.9494 -19.6445
12 C5x C 14.7841 -20.3319
13 C2y C 15.9494 -18.2801
14 C2y C 13.5944 -19.6445
15 O5x O 14.7841 -21.6965
16 C5x C 14.7841 -17.5973
17 C1a C 17.1624 -17.5798
18 C2y C 13.5944 -18.2801
19 O2a O 12.3687 -20.3436
20 O5x O 14.7900 -16.1979
21 O1a O 12.3744 -17.5740
22 C1a C 11.1627 -19.6445
23 C1b C 17.1766 -20.3429
24 C2b C 18.3978 -19.6389
25 C2c C 19.6189 -20.3429
26 C1b C 20.8332 -19.6389
27 C1a C 19.6189 -21.7508
28 C1b C 17.1766 -20.3429
29 C2b C 18.3978 -19.6389
30 C2c C 19.6189 -20.3429
31 C1b C 20.8332 -19.6389
32 C1a C 19.6189 -21.7508
33 C1b C 17.1766 -20.3429
34 C2b C 18.3978 -19.6389
35 C2c C 19.6189 -20.3429
36 C1b C 20.8332 -19.6389
37 C1a C 19.6189 -21.7508
38 C1b C 17.1766 -20.3429
39 C2b C 18.3978 -19.6389
40 C2c C 19.6189 -20.3429
41 C1b C 20.8332 -19.6389
42 C1a C 19.6189 -21.7508
BOND 42
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 18 21 1
15 19 22 1
16 16 18 1
17 6 7 1
18 7 8 2
19 8 9 1
20 8 10 1
21 9 1 1
22 23 24 1
23 24 25 2
24 25 26 1
25 25 27 1
26 6 26 1
27 28 29 1
28 29 30 2
29 30 31 1
30 30 32 1
31 23 31 1
32 33 34 1
33 34 35 2
34 35 36 1
35 35 37 1
36 28 36 1
37 38 39 1
38 39 40 2
39 40 41 1
40 40 42 1
41 33 41 1
42 38 11 1
BRACKET 1 16.6600 -21.0000 16.6600 -19.2500
1 21.2100 -19.4600 21.2100 -21.2800
1 5
ORIGINAL 1 6 7 8 9 10
REPEAT 1 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38
1 39 40 41 42
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