COMPOUND: C05813
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Entry
C05813 Compound
Name
2-Octaprenyl-6-methoxy-1,4-benzoquinone
Formula
C47H70O3
Exact mass
682.5325
Mol weight
683.05
Structure
Mol file
KCF file
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Other DBs
PubChem:
8108
ChEBI:
28423
NIKKAJI:
J2.759.805F
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KCF data
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ATOM 50
1 C1b C 54.2503 -19.6260
2 C2b C 55.5326 -18.9832
3 C1b C 52.9542 -18.9832
4 C2c C 56.8288 -19.6260
5 C1a C 58.1111 -18.9832
6 C1a C 56.8288 -20.9330
7 C1b C 49.1147 -19.6260
8 C2b C 50.4039 -18.9832
9 C1b C 47.8326 -18.9832
10 C2c C 51.6719 -19.6260
11 C1a C 51.6719 -20.9330
12 C1b C 38.8309 -19.6238
13 C2b C 40.1273 -18.9810
14 C2c C 41.4024 -19.6238
15 C1b C 42.6845 -18.9810
16 C1a C 41.4024 -20.9308
17 C1b C 43.9737 -19.6238
18 C1b C 33.7000 -19.6238
19 C2b C 34.9821 -18.9810
20 C2c C 36.2713 -19.6238
21 C1b C 37.5536 -18.9810
22 C1a C 36.2713 -20.9308
23 C1b C 28.5784 -19.6238
24 C2b C 29.8605 -18.9810
25 C2c C 31.1358 -19.6238
26 C1b C 32.4108 -18.9810
27 C1a C 31.1358 -20.9308
28 C1b C 23.4286 -19.6238
29 C2b C 24.7107 -18.9810
30 C2c C 26.0071 -19.6238
31 C1b C 27.2892 -18.9810
32 C1a C 26.0071 -20.9308
33 C1b C 18.2992 -19.6238
34 C2b C 19.5813 -18.9810
35 C2c C 20.8565 -19.6238
36 C1b C 22.1457 -18.9810
37 C1a C 20.8565 -20.9308
38 C2b C 45.2558 -18.9810
39 C2c C 46.5450 -19.6238
40 C1a C 46.5450 -20.9308
41 C2y C 17.0122 -18.9950
42 C5x C 15.8570 -19.6709
43 C2x C 17.0122 -17.6468
44 C2y C 14.6841 -18.9950
45 O5x O 15.8570 -21.0892
46 C5x C 15.8570 -16.9686
47 C2x C 14.6841 -17.6468
48 O2a O 13.4749 -19.6826
49 O5x O 15.8627 -15.6552
50 C1a C 12.2716 -18.9950
BOND 50
1 29 30 2
2 14 16 1
3 30 31 1
4 7 9 1
5 30 32 1
6 31 23 1
7 15 17 1
8 4 5 1
9 33 34 1
10 8 10 2
11 34 35 2
12 18 19 1
13 35 36 1
14 10 3 1
15 35 37 1
16 36 28 1
17 19 20 2
18 17 38 1
19 1 3 1
20 38 39 2
21 39 9 1
22 20 21 1
23 39 40 1
24 10 11 1
25 20 22 1
26 21 12 1
27 4 6 1
28 1 2 1
29 23 24 1
30 12 13 1
31 41 33 1
32 24 25 2
33 2 4 2
34 25 26 1
35 13 14 2
36 25 27 1
37 26 18 1
38 7 8 1
39 14 15 1
40 28 29 1
41 41 42 1
42 41 43 2
43 42 44 1
44 42 45 2
45 43 46 1
46 44 47 2
47 44 48 1
48 46 49 2
49 48 50 1
50 46 47 1
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