KEGG   COMPOUND: C20282
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
Pathway
map05204  Chemical carcinogenesis - DNA adducts
Other DBs
PubChem: 163312022
ChEBI: 179843
LinkDB
KCF data

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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