COMPOUND: C20282
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Entry
C20282 Compound
Name
1-(4-Hydroxyphenylazo)-naphthalene-2,6-diol;
4',6-diOH-Sudan I
Formula
C16H12N2O3
Exact mass
280.0848
Mol weight
280.28
Structure
Mol file
KCF file
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Pathway
map05204
Chemical carcinogenesis - DNA adducts
Other DBs
PubChem:
163312022
ChEBI:
179843
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KCF data
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ATOM 21
1 C8y C 20.4405 -16.5428
2 C8y C 21.6551 -15.8434
3 C8x C 21.6567 -14.4418
4 C8x C 20.4437 -13.7396
5 C8y C 19.2292 -14.4390
6 C8y C 19.2276 -15.8406
7 C8x C 20.4389 -17.9444
8 C8x C 21.6519 -18.6466
9 C8y C 22.8666 -17.9472
10 C8x C 22.8682 -16.5456
11 N2b N 18.0131 -16.5399
12 N2b N 16.8168 -15.8475
13 O1a O 17.9971 -13.7261
14 C8y C 15.6021 -16.5470
15 C8x C 14.4060 -15.8548
16 C8x C 13.1914 -16.5545
17 C8y C 13.1901 -17.9561
18 C8x C 14.3864 -18.6483
19 C8x C 15.6009 -17.9486
20 O1a O 24.0808 -18.6502
21 O1a O 11.9396 -18.6759
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 6 11 1
13 11 12 2
14 5 13 1
15 12 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 9 20 1
23 17 21 1
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