KEGG   COMPOUND: C08543
Entry
C08543                      Compound                               

Name
Dopaxanthin
Formula
C18H18N2O8
Exact mass
390.1063
Mol weight
390.3441
Structure
Reaction
Pathway
map00965  Betalain biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.10.3.-        1.14.18.-
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betaxanthins
    C08543  Dopaxanthin
Other DBs
CAS: 71199-31-0
PubChem: 10736
ChEBI: 4700
KNApSAcK: C00001587
3DMET: B02213
NIKKAJI: J18.773I
KCF data

ATOM        28
            1   C2y C    27.9818  -18.6483
            2   C1x C    26.7574  -19.3305
            3   C2x C    29.1827  -19.3538
            4   C2b C    27.9876  -17.2491
            5   C1y C    26.7457  -20.7355
            6   C2y C    29.1711  -20.7529
            7   C2b C    26.7107  -16.5437
            8   N1x N    27.9585  -21.4468
            9   C6a C    25.5274  -21.4292
            10  C6a C    30.3722  -21.4701
            11  N2b N    26.7691  -15.1328
            12  O6a O    24.3263  -20.7122
            13  O6a O    25.5798  -22.8284
            14  O6a O    30.3546  -22.8693
            15  O6a O    31.5907  -20.7762
            16  C1c C    27.5911  -14.0017
            17  C1b C    26.7691  -12.8708
            18  C6a C    28.9903  -13.9960
            19  C8y C    25.4398  -13.3080
            20  O6a O    29.6783  -15.2086
            21  O6a O    29.6783  -12.7775
            22  C8x C    24.2330  -12.6025
            23  C8x C    25.4398  -14.7013
            24  C8y C    23.0204  -13.3080
            25  C8x C    24.2330  -15.4069
            26  C8y C    23.0204  -14.7073
            27  O1a O    21.8019  -12.6025
            28  O1a O    21.8019  -15.4010
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 1
            22   19  23 2
            23   22  24 2
            24   23  25 1
            25   24  26 1
            26   24  27 1
            27   26  28 1
            28    6   8 1
            29   25  26 2

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