Entry |
|
Name |
DNDS;
4,4'-Dinitrostilbene-2,2'-disulfonic acid
|
Formula |
C14H10N2O10S2
|
Exact mass |
429.9777
|
Mol weight |
430.3666
|
Structure |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
C13706 DNDS
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Other DBs |
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LinkDB |
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KCF data |
ATOM 28
1 C8y C 21.8400 -17.1500
2 C8x C 20.6500 -17.8500
3 C8y C 23.0300 -17.8500
4 S4a S 21.8400 -15.8200
5 C8y C 20.6500 -19.1800
6 C8x C 23.0300 -19.2500
7 O1d O 21.8400 -14.1400
8 O1d O 20.4400 -15.8200
9 O1d O 23.1700 -15.8200
10 C8x C 21.8400 -19.8800
11 N2b N 19.4600 -19.8800
12 C2b C 24.2900 -17.1500
13 C2b C 25.4800 -17.9200
14 C8y C 27.8600 -17.8500
15 C8x C 29.0500 -17.1500
16 C8y C 26.6700 -17.1500
17 S4a S 27.8600 -19.2500
18 C8y C 29.0500 -15.8200
19 C8x C 26.6700 -15.8200
20 O1d O 27.8600 -20.9300
21 O1d O 29.3300 -19.2500
22 O1d O 26.5300 -19.2500
23 C8x C 27.8600 -15.1200
24 N2b N 30.2400 -15.1200
25 O3a O 30.2400 -13.7200
26 O3a O 31.5000 -15.8200
27 O3a O 19.4600 -21.2800
28 O3a O 18.2700 -19.1800
BOND 29
1 2 5 1
2 3 6 2
3 4 7 1
4 4 8 2
5 4 9 2
6 5 10 2
7 5 11 1
8 6 10 1
9 1 2 2
10 14 15 2
11 14 16 1
12 14 17 1
13 15 18 1
14 16 19 2
15 17 20 1
16 17 21 2
17 17 22 2
18 18 23 2
19 18 24 1
20 19 23 1
21 1 3 1
22 16 13 1
23 24 25 2
24 3 12 1
25 24 26 2
26 1 4 1
27 11 27 2
28 12 13 2
29 11 28 2
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