 | | COMPOUND: C05809 | |
| Entry |
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| Name |
3-Octaprenyl-4-hydroxybenzoate;
4-Hydroxy-3-octaprenylbenzoate
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| Formula |
C47H70O3
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| Exact mass |
682.5325
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| Mol weight |
683.0569
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| Structure |
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| Reaction |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 50
1 C8x C 22.7500 -16.5900
2 C8x C 22.7500 -17.9900
3 C8y C 23.9400 -18.6900
4 C8y C 25.2000 -17.9900
5 C8x C 25.2000 -16.5900
6 C8y C 23.9400 -15.8900
7 C1b C 26.3900 -18.6900
8 C2b C 27.6500 -17.9900
9 C2c C 28.8400 -18.6900
10 C1b C 30.0300 -17.9900
11 C1b C 31.2900 -18.6900
12 C2b C 32.4800 -17.9900
13 C2c C 33.6700 -18.6900
14 C1a C 34.9300 -17.9900
15 O1a O 23.9400 -20.0900
16 C6a C 23.9400 -14.4900
17 O6a O 22.7500 -13.7900
18 O6a O 25.1300 -13.7900
19 C1a C 28.8400 -20.0900
20 C1a C 33.6700 -20.0900
21 C1b C 26.3900 -18.6900
22 C2b C 27.6500 -17.9900
23 C2c C 28.8400 -18.6900
24 C1b C 30.0300 -17.9900
25 C1a C 28.8400 -20.0900
26 C1b C 26.3900 -18.6900
27 C2b C 27.6500 -17.9900
28 C2c C 28.8400 -18.6900
29 C1b C 30.0300 -17.9900
30 C1a C 28.8400 -20.0900
31 C1b C 26.3900 -18.6900
32 C2b C 27.6500 -17.9900
33 C2c C 28.8400 -18.6900
34 C1b C 30.0300 -17.9900
35 C1a C 28.8400 -20.0900
36 C1b C 26.3900 -18.6900
37 C2b C 27.6500 -17.9900
38 C2c C 28.8400 -18.6900
39 C1b C 30.0300 -17.9900
40 C1a C 28.8400 -20.0900
41 C1b C 26.3900 -18.6900
42 C2b C 27.6500 -17.9900
43 C2c C 28.8400 -18.6900
44 C1b C 30.0300 -17.9900
45 C1a C 28.8400 -20.0900
46 C1b C 26.3900 -18.6900
47 C2b C 27.6500 -17.9900
48 C2c C 28.8400 -18.6900
49 C1b C 30.0300 -17.9900
50 C1a C 28.8400 -20.0900
BOND 50
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 11 12 1
8 12 13 2
9 13 14 1
10 3 15 1
11 6 16 1
12 16 17 2
13 16 18 1
14 13 20 1
15 4 7 1
16 7 8 1
17 8 9 2
18 9 10 1
19 9 19 1
20 10 21 1
21 21 22 1
22 22 23 2
23 23 24 1
24 23 25 1
25 24 26 1
26 26 27 1
27 27 28 2
28 28 29 1
29 28 30 1
30 29 31 1
31 31 32 1
32 32 33 2
33 33 34 1
34 33 35 1
35 34 36 1
36 36 37 1
37 37 38 2
38 38 39 1
39 38 40 1
40 39 41 1
41 41 42 1
42 42 43 2
43 43 44 1
44 43 45 1
45 44 46 1
46 46 47 1
47 47 48 2
48 48 49 1
49 48 50 1
50 49 11 1
BRACKET 1 26.1800 -19.6700 26.1800 -17.7800
1 30.1000 -17.5700 30.1000 -19.3900
1 7
ORIGINAL 1 7 8 9 10 19
REPEAT 1 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36
1 37 38 39 40 41 42 43 44 45 46 47 48 49 50
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