| | COMPOUND: C05811 | |
Entry |
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Name |
2-Octaprenyl-6-hydroxyphenol;
3-Octaprenylcatechol
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Formula |
C46H70O2
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Exact mass |
654.5376
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Mol weight |
655.0468
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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 48
1 C1b C 28.1853 -17.8626
2 C2b C 29.4650 -17.2138
3 C2c C 30.7517 -17.8626
4 C1a C 32.0312 -17.2138
5 C1a C 30.7517 -19.1671
6 C1b C 23.0592 -17.8626
7 C2b C 24.3458 -17.2138
8 C2c C 25.6183 -17.8626
9 C1b C 26.9051 -17.2138
10 C1a C 25.6183 -19.1671
11 C8y C 21.7747 -17.2280
12 C8y C 20.6216 -17.9109
13 C8x C 21.7747 -15.8825
14 C8y C 19.4510 -17.2280
15 O1a O 20.6216 -19.2564
16 C8x C 20.6216 -15.2138
17 C8x C 19.4510 -15.8825
18 O1a O 18.2515 -17.9225
19 C1b C 23.0592 -17.8626
20 C2b C 24.3458 -17.2138
21 C2c C 25.6183 -17.8626
22 C1b C 26.9051 -17.2138
23 C1a C 25.6183 -19.1671
24 C1b C 23.0592 -17.8626
25 C2b C 24.3458 -17.2138
26 C2c C 25.6183 -17.8626
27 C1b C 26.9051 -17.2138
28 C1a C 25.6183 -19.1671
29 C1b C 23.0592 -17.8626
30 C2b C 24.3458 -17.2138
31 C2c C 25.6183 -17.8626
32 C1b C 26.9051 -17.2138
33 C1a C 25.6183 -19.1671
34 C1b C 23.0592 -17.8626
35 C2b C 24.3458 -17.2138
36 C2c C 25.6183 -17.8626
37 C1b C 26.9051 -17.2138
38 C1a C 25.6183 -19.1671
39 C1b C 23.0592 -17.8626
40 C2b C 24.3458 -17.2138
41 C2c C 25.6183 -17.8626
42 C1b C 26.9051 -17.2138
43 C1a C 25.6183 -19.1671
44 C1b C 23.0592 -17.8626
45 C2b C 24.3458 -17.2138
46 C2c C 25.6183 -17.8626
47 C1b C 26.9051 -17.2138
48 C1a C 25.6183 -19.1671
BOND 48
1 1 2 1
2 2 3 2
3 3 4 1
4 3 5 1
5 11 12 2
6 11 13 1
7 12 14 1
8 12 15 1
9 13 16 2
10 14 17 2
11 14 18 1
12 16 17 1
13 9 1 1
14 6 7 1
15 7 8 2
16 8 9 1
17 8 10 1
18 6 22 1
19 19 20 1
20 20 21 2
21 21 22 1
22 21 23 1
23 19 27 1
24 24 25 1
25 25 26 2
26 26 27 1
27 26 28 1
28 24 32 1
29 29 30 1
30 30 31 2
31 31 32 1
32 31 33 1
33 29 37 1
34 34 35 1
35 35 36 2
36 36 37 1
37 36 38 1
38 34 42 1
39 39 40 1
40 40 41 2
41 41 42 1
42 41 43 1
43 39 47 1
44 44 45 1
45 45 46 2
46 46 47 1
47 46 48 1
48 44 11 1
BRACKET 1 22.7500 -18.6200 22.7500 -16.9400
1 27.1600 -17.0100 27.1600 -18.6900
1 7
ORIGINAL 1 6 7 8 9 10
REPEAT 1 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34
1 35 36 37 38 39 40 41 42 43 44 45 46 47 48
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