KEGG   COMPOUND: C22850
Entry
C22850                      Compound                               
Name
3-Diazoavenalumate;
1-{3-[(1E,3E)-4-Carboxylatobuta-1,3-dien-1-yl]-6-oxocyclohexa-2,4-dien-1-ylidene}diazenium
Formula
C11H8N2O3
Exact mass
216.0535
Mol weight
216.19
Structure
Reaction
R13241
Enzyme
6.7.1.2
Other DBs
PubChem: 497620203
LinkDB
KCF data

ATOM        16
            1   O6a O    12.5690  -15.9650
            2   C6a C    13.8126  -16.6558
            3   C2b C    14.9872  -15.9650
            4   C2b C    16.1617  -16.6558
            5   C2b C    17.4054  -15.9650
            6   C2b C    18.5799  -16.6558
            7   C2y C    19.7545  -15.9650
            8   C2x C    20.9290  -16.6558
            9   C2y C    22.1726  -15.9650
            10  C5x C    22.1726  -14.5832
            11  C2x C    20.9980  -13.8922
            12  C2x C    19.7545  -14.5832
            13  O5x O    23.3472  -13.8922
            14  N0  N    23.3472  -16.6558 #+
            15  O6a O    13.8126  -18.0376
            16  N2a N    24.7395  -17.5643 #-
BOND        16
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   10  13 2
            14    9  14 2
            15    2  15 2
            16   14  16 2

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