| Entry |
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| Name |
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid;
SITS
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| Formula |
C17H14N2O7S3
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| Exact mass |
453.9963
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| Mol weight |
454.4973
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| Structure |
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
C13702 4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 C8y C 30.7255 -16.8081
2 C8y C 31.9365 -17.5092
3 C8x C 33.1491 -16.8110
4 C8y C 33.1508 -15.4118
5 C8x C 31.9399 -14.7107
6 C8x C 30.7272 -15.4089
7 C8x C 24.6708 -17.5163
8 C8y C 24.6708 -18.9185
9 C8x C 25.8880 -19.6196
10 C8x C 27.0981 -18.9185
11 C8y C 27.0981 -17.5163
12 C8y C 25.8880 -16.8153
13 N1b N 23.4598 -19.6196
14 C5a C 22.2489 -18.9185
15 C1a C 21.0379 -19.6196
16 C2b C 28.3036 -16.8153
17 C2b C 29.5146 -17.5092
18 N2b N 34.3584 -14.7049
19 C0 C 35.5693 -15.3988
20 S0 S 36.7803 -14.6978
21 O5a O 22.2489 -17.5163
22 S4a S 31.9348 -18.9114
23 O1d O 30.5273 -18.9042
24 O1d O 33.3316 -18.9042
25 O1d O 31.9224 -20.3064
26 S4a S 25.8899 -15.4131
27 O1d O 24.4867 -15.4131
28 O1d O 27.2910 -15.4131
29 O1d O 25.8934 -14.0110
BOND 30
1 1 2 2
2 14 15 1
3 2 3 1
4 11 16 1
5 3 4 2
6 16 17 2
7 17 1 1
8 4 5 1
9 4 18 1
10 5 6 2
11 18 19 2
12 7 8 2
13 19 20 2
14 8 9 1
15 14 21 2
16 9 10 2
17 2 22 1
18 10 11 1
19 22 23 2
20 11 12 2
21 22 24 2
22 12 7 1
23 22 25 1
24 6 1 1
25 12 26 1
26 8 13 1
27 26 27 2
28 26 28 2
29 13 14 1
30 26 29 1
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