 | | COMPOUND: C05803 | |
| Entry |
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| Name |
2-Hexaprenyl-6-methoxy-1,4-benzoquinone
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| Formula |
C37H54O3
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| Exact mass |
546.4073
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| Mol weight |
546.8229
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| Structure |
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| Other DBs |
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| KCF data |
ATOM 40
1 C1b C 22.0161 -20.3731
2 C2b C 23.2376 -19.6689
3 C2c C 24.4591 -20.3731
4 C1a C 25.6737 -19.6689
5 C1a C 24.4591 -21.7813
6 C1b C 17.1372 -20.3731
7 C2b C 18.3587 -19.6689
8 C2c C 19.5802 -20.3731
9 C1b C 20.7946 -19.6689
10 C1a C 19.5802 -21.7813
11 C2y C 15.9143 -19.6712
12 C5x C 14.7487 -20.3530
13 C2x C 15.9143 -18.3063
14 C2y C 13.5587 -19.6712
15 O5x O 14.7487 -21.7178
16 C5x C 14.7487 -17.6174
17 C2x C 13.5587 -18.3063
18 O2a O 12.3326 -20.3646
19 O5x O 14.7547 -16.2176
20 C1a C 11.1263 -19.6712
21 C1b C 17.1372 -20.3731
22 C2b C 18.3587 -19.6689
23 C2c C 19.5802 -20.3731
24 C1b C 20.7946 -19.6689
25 C1a C 19.5802 -21.7813
26 C1b C 17.1372 -20.3731
27 C2b C 18.3587 -19.6689
28 C2c C 19.5802 -20.3731
29 C1b C 20.7946 -19.6689
30 C1a C 19.5802 -21.7813
31 C1b C 17.1372 -20.3731
32 C2b C 18.3587 -19.6689
33 C2c C 19.5802 -20.3731
34 C1b C 20.7946 -19.6689
35 C1a C 19.5802 -21.7813
36 C1b C 17.1372 -20.3731
37 C2b C 18.3587 -19.6689
38 C2c C 19.5802 -20.3731
39 C1b C 20.7946 -19.6689
40 C1a C 19.5802 -21.7813
BOND 40
1 3 5 1
2 1 2 1
3 2 3 2
4 3 4 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 16 19 2
13 18 20 1
14 16 17 1
15 6 7 1
16 7 8 2
17 8 9 1
18 8 10 1
19 9 1 1
20 21 22 1
21 22 23 2
22 23 24 1
23 23 25 1
24 6 24 1
25 26 27 1
26 27 28 2
27 28 29 1
28 28 30 1
29 21 29 1
30 31 32 1
31 32 33 2
32 33 34 1
33 33 35 1
34 26 34 1
35 36 37 1
36 37 38 2
37 38 39 1
38 38 40 1
39 31 39 1
40 36 11 1
BRACKET 1 16.9400 -21.2800 16.9400 -19.3900
1 21.3500 -19.3900 21.3500 -21.2800
1 5
ORIGINAL 1 6 7 8 9 10
REPEAT 1 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36
1 37 38 39 40
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