KEGG   COMPOUND: C19264
Entry
C19264                      Compound                               
Name
2-Methyl-1-nitroanthraquinone
Formula
C15H9NO4
Exact mass
267.0532
Mol weight
267.24
Structure
Other DBs
CAS: 129-15-7
PubChem: 124489936
ChEBI: 82345
LinkDB
KCF data

ATOM        20
            1   C8x C    19.4600  -16.2400
            2   C8x C    19.4600  -17.6400
            3   C8x C    20.6724  -18.3400
            4   C8y C    21.8849  -17.6400
            5   C8y C    21.8849  -16.2400
            6   C8x C    20.6724  -15.5400
            7   C5x C    23.0973  -18.3400
            8   C8y C    24.3097  -17.6400
            9   C8y C    24.3097  -16.2400
            10  C5x C    23.0973  -15.5400
            11  C8y C    25.5222  -18.3400
            12  C8y C    26.7346  -17.6400
            13  C8x C    26.7346  -16.2400
            14  C8x C    25.5222  -15.5400
            15  O5x O    23.0973  -14.1400
            16  O5x O    23.0973  -19.7400
            17  N2b N    25.5222  -19.7397 #+
            18  O3a O    26.7554  -20.4520 #-
            19  O3a O    24.3306  -20.4278
            20  C1a C    27.9511  -18.3423
BOND        22
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 2
            18    7  16 2
            19   11  17 1
            20   17  18 1
            21   17  19 2
            22   12  20 1

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