KEGG   COMPOUND: C17753
Entry
C17753                      Compound                               

Name
Dopaxanthin quinone
Formula
C18H16N2O8
Exact mass
388.0907
Mol weight
388.3282
Structure
Reaction
Pathway
map00965  Betalain biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.10.3.-        1.14.18.-
Other DBs
PubChem: 96024080
ChEBI: 81318
KCF data

ATOM        28
            1   C2y C    22.2417  -17.3182
            2   C1x C    21.0173  -18.0004
            3   C2x C    23.4426  -18.0237
            4   C2b C    22.2475  -15.9190
            5   C1y C    21.0056  -19.4054
            6   C2y C    23.4310  -19.4228
            7   C2b C    21.0406  -15.2136
            8   N1x N    22.2184  -20.1167
            9   C6a C    19.7873  -20.0991
            10  C6a C    24.6321  -20.1400
            11  N2b N    21.0290  -13.8027
            12  O6a O    18.5862  -19.3821
            13  O6a O    19.7697  -21.4983
            14  O6a O    24.6145  -21.5392
            15  O6a O    25.8506  -19.4461
            16  C1c C    21.8510  -12.6717
            17  C1b C    21.0290  -11.5408
            18  C6a C    23.2502  -12.6660
            19  C2y C    19.6997  -11.9780
            20  O6a O    23.9382  -13.8785
            21  O6a O    23.9382  -11.4475
            22  C2x C    18.4929  -11.2725
            23  C2x C    19.6997  -13.3712
            24  C5x C    17.2803  -11.9780
            25  C2x C    18.4929  -14.0768
            26  C5x C    17.2803  -13.3772
            27  O5x O    16.0618  -11.2725
            28  O5x O    16.0618  -14.0709
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Down
            9     6  10 1
            10    7  11 2
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   10  15 2
            15   11  16 1
            16   16  17 1
            17   16  18 1 #Up
            18   17  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 2
            22   19  23 1
            23   22  24 1
            24   23  25 2
            25   24  26 1
            26   24  27 2
            27   26  28 2
            28    6   8 1
            29   25  26 1

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