KEGG   COMPOUND: C08552
Entry
C08552                      Compound                               

Name
Lampranthin II
Formula
C34H34N2O16
Exact mass
726.1908
Mol weight
726.6376
Structure
Reaction
Pathway
map00965  Betalain biosynthesis
Enzyme
2.3.1.-
Other DBs
CAS: 32074-65-0
PubChem: 10745
ChEBI: 6368
KNApSAcK: C00001594
3DMET: B02220
NIKKAJI: J338.613I
KCF data

ATOM        52
            1   C8y C    33.5151  -15.2721
            2   C8y C    33.5228  -13.9060
            3   N2y N    34.7980  -15.6947 #+
            4   C8x C    32.3228  -15.9361
            5   C1x C    34.8207  -13.4911
            6   C8x C    32.3530  -13.2193
            7   C1y C    35.6206  -14.6004
            8   C2b C    34.7980  -17.0679
            9   C8y C    31.1531  -15.2493
            10  C8y C    31.1682  -13.8835
            11  C6a C    36.9865  -14.5928
            12  C2b C    35.9828  -17.7547
            13  O1a O    29.9682  -15.9135
            14  O2a O    29.3963  -13.0575
            15  O6a O    37.6658  -13.4079
            16  O6a O    37.6658  -15.7850 #-
            17  C2y C    35.9828  -19.1282
            18  C1y C    27.3740  -13.8703
            19  C1x C    34.7980  -19.7998
            20  C2x C    37.1677  -19.7998
            21  O2x O    26.1815  -13.2138
            22  C1y C    27.4042  -15.2438
            23  C1y C    34.7980  -21.1733
            24  C2y C    37.1677  -21.1733
            25  C1y C    25.0194  -13.9156
            26  C1y C    26.2344  -15.9382
            27  O1a O    28.4639  -15.9080
            28  N1x N    35.9828  -21.8600
            29  C6a C    33.6208  -21.8600
            30  C6a C    38.3525  -21.8600
            31  C1y C    24.9570  -15.2817
            32  C1b C    23.8120  -13.2516
            33  O1a O    26.2570  -17.3117
            34  O6a O    32.4285  -21.1733
            35  O6a O    33.6208  -23.2259
            36  O6a O    38.3525  -23.2259
            37  O6a O    39.5373  -21.1733
            38  O1a O    23.8647  -15.9835
            39  O7a O    22.6497  -13.9458
            40  C7a C    21.4574  -13.3044
            41  C2b C    20.2953  -13.9988
            42  O6a O    21.5200  -11.9385
            43  C2b C    19.1105  -13.3497
            44  C8y C    17.9484  -14.0515
            45  C8x C    16.7636  -13.3724
            46  C8x C    17.9484  -15.4099
            47  C8y C    15.5787  -14.0515
            48  C8x C    16.7636  -16.0967
            49  C8y C    15.5864  -15.4174
            50  O2a O    14.4090  -13.3799
            51  O1a O    14.4090  -16.0890
            52  C1a C    13.2318  -14.0515
BOND        56
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     6  10 2
            10    7  11 1 #Up
            11    8  12 1
            12    9  13 1
            13   10  14 1
            14   11  15 2
            15   11  16 1
            16   12  17 2
            17   18  14 1 #Up
            18   17  19 1
            19   17  20 1
            20   18  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Down
            27   23  28 1
            28   23  29 1 #Down
            29   24  30 1
            30   25  31 1
            31   25  32 1 #Up
            32   26  33 1 #Up
            33   29  34 1
            34   29  35 2
            35   30  36 1
            36   30  37 2
            37   31  38 1 #Down
            38   32  39 1
            39   39  40 1
            40   40  41 1
            41   40  42 2
            42   41  43 2
            43   43  44 1
            44   44  45 1
            45   44  46 2
            46   45  47 2
            47   46  48 1
            48   47  49 1
            49   47  50 1
            50   49  51 1
            51   50  52 1
            52    5   7 1
            53    9  10 1
            54   24  28 1
            55   26  31 1
            56   48  49 2

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