KEGG   COMPOUND: C08537Help
Entry
C08537                      Compound                               

Name
Amaranthin
Formula
C30H34N2O19
Exact mass
726.1756
Mol weight
726.593
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00965  Betalain biosynthesis
Enzyme
2.3.1.-         2.4.1.-
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betacyanins
    C08537  Amaranthin
BRITE hierarchy
Other DBs
CAS: 15167-84-7
PubChem: 10730
ChEBI: 2621
KNApSAcK: C00001581
3DMET: B02207
NIKKAJI: J139.428B
KCF data Show

ATOM        51
            1   C8y C    29.6538  -17.5636
            2   N2y N    30.9763  -18.0007 #+
            3   C8y C    29.6654  -16.1713
            4   C8x C    28.4363  -18.2454
            5   C1y C    31.8094  -16.8764
            6   C2b C    30.9763  -19.4047
            7   C1x C    30.9937  -15.7402
            8   C8x C    28.4654  -15.4606
            9   C8y C    27.2420  -17.5405
            10  C6a C    33.2076  -16.8704
            11  C2b C    32.1880  -20.1096
            12  C8y C    27.2536  -16.1480
            13  O1a O    26.0244  -18.2220
            14  O6a O    33.9067  -15.6587
            15  O6a O    33.9067  -18.0881 #-
            16  C2y C    32.1880  -21.5137
            17  O2a O    26.0534  -15.4315
            18  C1x C    30.9705  -22.2069
            19  C2x C    33.3999  -22.2069
            20  C1y C    26.0593  -14.0333
            21  C1y C    30.9705  -23.6110
            22  C2y C    33.3999  -23.6110
            23  C1y C    24.8417  -13.3342
            24  O2x O    27.2653  -13.3342
            25  N1x N    32.1880  -24.3159
            26  C6a C    29.7587  -24.3159
            27  C6a C    34.6116  -24.3159
            28  O2a O    23.6241  -14.0390
            29  C1y C    24.8417  -11.9418
            30  C1y C    27.2653  -11.9359
            31  O6a O    28.5410  -23.6110
            32  O6a O    29.7587  -25.7141
            33  O6a O    34.6116  -25.7141
            34  O6a O    35.8292  -23.6110
            35  C1y C    22.4122  -14.7381
            36  C1y C    26.0534  -11.2311
            37  O1a O    23.6241  -11.2368
            38  C1b C    28.4770  -11.2311
            39  O2x O    21.2005  -14.0390
            40  C1y C    22.4122  -16.1423
            41  O1a O    26.0534   -9.8328
            42  O1a O    28.4711   -9.8269
            43  C1y C    19.9829  -14.7381
            44  C1y C    21.2005  -16.8355
            45  O1a O    23.6241  -16.8355
            46  C1y C    19.9829  -16.1423
            47  C6a C    18.7712  -14.0333
            48  O1a O    21.2005  -18.2394
            49  O1a O    18.7712  -16.8414
            50  O6a O    17.5536  -14.7381
            51  O6a O    18.7712  -12.6350
BOND        55
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1 #Up
            10    6  11 1
            11    8  12 2
            12    9  13 1
            13   10  14 2
            14   10  15 1
            15   11  16 2
            16   12  17 1
            17   16  18 1
            18   16  19 1
            19   20  17 1 #Up
            20   18  21 1
            21   19  22 2
            22   20  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   22  27 1
            27   23  28 1 #Down
            28   23  29 1
            29   24  30 1
            30   26  31 1
            31   26  32 2
            32   27  33 1
            33   27  34 2
            34   35  28 1 #Up
            35   29  36 1
            36   29  37 1 #Up
            37   30  38 1 #Up
            38   35  39 1
            39   35  40 1
            40   36  41 1 #Down
            41   38  42 1
            42   39  43 1
            43   40  44 1
            44   40  45 1 #Down
            45   43  46 1
            46   43  47 1 #Up
            47   44  48 1 #Up
            48   46  49 1 #Down
            49   47  50 1
            50   47  51 2
            51    5   7 1
            52    9  12 1
            53   22  25 1
            54   30  36 1
            55   44  46 1

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