COMPOUND: C05815
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Entry
C05815 Compound
Name
2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
Formula
C48H72O4
Exact mass
712.5431
Mol weight
713.0829
Structure
Mol file
KCF file
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Other DBs
PubChem:
8110
ChEBI:
27688
3DMET:
B00854
NIKKAJI:
J2.759.807B
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KCF data
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ATOM 52
1 C1b C 13.8910 -18.8773
2 C2b C 15.1081 -18.1715
3 C2c C 16.3255 -18.8773
4 C1a C 17.5426 -18.1715
5 C1a C 16.3255 -20.2818
6 C1b C 9.0291 -18.8773
7 C2b C 10.2463 -18.1715
8 C2c C 11.4565 -18.8773
9 C1b C 12.6736 -18.1715
10 C1a C 11.4565 -20.2818
11 C2y C 7.7676 -18.1590
12 C5x C 6.5994 -18.8423
13 C2y C 7.7676 -16.7980
14 C2y C 5.4137 -18.1590
15 O5x O 6.5994 -20.2032
16 C5x C 6.5994 -16.1147
17 C1a C 8.9824 -16.0971
18 C2y C 5.4137 -16.7980
19 O2a O 4.1975 -18.8539
20 O5x O 6.6053 -14.7187
21 O1a O 4.1975 -16.0971
22 C1a C 2.9885 -18.1530
23 C1b C 9.0291 -18.8773
24 C2b C 10.2463 -18.1715
25 C2c C 11.4565 -18.8773
26 C1b C 12.6736 -18.1715
27 C1a C 11.4565 -20.2818
28 C1b C 9.0291 -18.8773
29 C2b C 10.2463 -18.1715
30 C2c C 11.4565 -18.8773
31 C1b C 12.6736 -18.1715
32 C1a C 11.4565 -20.2818
33 C1b C 9.0291 -18.8773
34 C2b C 10.2463 -18.1715
35 C2c C 11.4565 -18.8773
36 C1b C 12.6736 -18.1715
37 C1a C 11.4565 -20.2818
38 C1b C 9.0291 -18.8773
39 C2b C 10.2463 -18.1715
40 C2c C 11.4565 -18.8773
41 C1b C 12.6736 -18.1715
42 C1a C 11.4565 -20.2818
43 C1b C 9.0291 -18.8773
44 C2b C 10.2463 -18.1715
45 C2c C 11.4565 -18.8773
46 C1b C 12.6736 -18.1715
47 C1a C 11.4565 -20.2818
48 C1b C 9.0291 -18.8773
49 C2b C 10.2463 -18.1715
50 C2c C 11.4565 -18.8773
51 C1b C 12.6736 -18.1715
52 C1a C 11.4565 -20.2818
BOND 52
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 9 1 1
21 8 10 1
22 23 24 1
23 24 25 2
24 25 26 1
25 6 26 1
26 25 27 1
27 28 29 1
28 29 30 2
29 30 31 1
30 23 31 1
31 30 32 1
32 33 34 1
33 34 35 2
34 35 36 1
35 28 36 1
36 35 37 1
37 38 39 1
38 39 40 2
39 40 41 1
40 33 41 1
41 40 42 1
42 43 44 1
43 44 45 2
44 45 46 1
45 38 46 1
46 45 47 1
47 48 49 1
48 49 50 2
49 50 51 1
50 43 51 1
51 50 52 1
52 48 11 1
BRACKET 1 8.6100 -19.6000 8.6100 -17.8500
1 12.8100 -17.8500 12.8100 -19.7400
1 7
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 43 44 45 46 47 48 49 50 51 52
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