KEGG   COMPOUND: C08543Help
Entry
C08543                      Compound                               

Name
Dopaxanthin
Formula
C18H18N2O8
Exact mass
390.1063
Mol weight
390.3441
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 71199-31-0
PubChem: 10736
ChEBI: 4700
KNApSAcK: C00001587
3DMET: B02213
NIKKAJI: J18.773I
KCF data Show

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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