KEGG   COMPOUND: C17752
Entry
C17752                      Compound                               

Name
cyclo-Dopa-glucuronylglucoside
Formula
C21H27NO15
Exact mass
533.1381
Mol weight
533.4368
Structure
Reaction
Pathway
map00965  Betalain biosynthesis
Enzyme
2.4.1.-
Other DBs
PubChem: 96024079
ChEBI: 81317
KCF data

ATOM        37
            1   C1y C    14.9800  -19.0400
            2   C1y C    18.3317  -16.6636
            3   C8y C    22.8299  -18.6758
            4   C8y C    22.8243  -20.0729
            5   C1x C    24.1633  -18.2506
            6   C8x C    21.6307  -17.9828
            7   N1x N    24.1517  -20.5098
            8   C8x C    21.6307  -20.7660
            9   C1y C    24.9782  -19.3860
            10  C8y C    20.4196  -18.6758
            11  C8y C    20.4196  -20.0729
            12  C6a C    26.3698  -19.3919
            13  O2a O    19.2144  -17.9828
            14  O1a O    19.2144  -20.7660
            15  O6a O    27.0626  -20.5971
            16  O6a O    27.0742  -18.1866
            17  O2x O    18.9471  -15.4137
            18  C1y C    18.1724  -14.2557
            19  C1y C    16.7822  -14.3478
            20  C1y C    16.1668  -15.5977
            21  C1y C    16.9416  -16.7555
            22  C1b C    18.8036  -12.9735
            23  O1a O    14.7808  -15.6894
            24  O1a O    16.0207  -13.2094
            25  O2a O    16.3342  -17.9886
            26  O1a O    17.8184  -11.9884
            27  O2x O    13.6835  -18.5116
            28  C1y C    12.5777  -19.3702
            29  C1y C    12.7683  -20.7571
            30  C1y C    14.0648  -21.2855
            31  C1y C    15.1706  -20.4270
            32  C6a C    11.3073  -18.8526
            33  O1a O    14.2548  -22.6678
            34  O1a O    16.4883  -20.9639
            35  O1a O    11.6288  -21.6416
            36  O6a O    10.2330  -19.6870
            37  O6a O    11.1136  -17.4484
BOND        40
            1     3   4 1
            2     3   5 1
            3     3   6 2
            4     4   7 1
            5     4   8 2
            6     5   9 1
            7     6  10 1
            8     8  11 1
            9     9  12 1 #Up
            10   10  13 1
            11   11  14 1
            12   12  15 1
            13   12  16 2
            14    7   9 1
            15   10  11 2
            16    2  13 1 #Up
            17    2  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22    2  21 1
            23   18  22 1 #Up
            24   20  23 1 #Up
            25   19  24 1 #Down
            26   21  25 1 #Down
            27   22  26 1
            28    1  25 1 #Up
            29    1  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34    1  31 1
            35   28  32 1 #Up
            36   30  33 1 #Up
            37   31  34 1 #Down
            38   29  35 1 #Down
            39   32  36 1
            40   32  37 2

» Japanese version

DBGET integrated database retrieval system