KEGG   COMPOUND: C17751
Entry
C17751                      Compound                               

Name
cyclo-Dopa 5-O-glucoside
Formula
C15H19NO9
Exact mass
357.106
Mol weight
357.3127
Structure
Reaction
Pathway
map00965  Betalain biosynthesis
Enzyme
2.4.1.-
Other DBs
PubChem: 96024078
ChEBI: 134458
NIKKAJI: J1.475.643D
KCF data

ATOM        25
            1   C1y C    16.1000  -13.6500
            2   C8y C    20.6202  -15.6720
            3   C8y C    20.6145  -17.0760
            4   C1x C    21.9601  -15.2448
            5   C8x C    19.4151  -14.9757
            6   N1x N    21.9484  -17.5150
            7   C8x C    19.4151  -17.7724
            8   C1y C    22.7791  -16.3857
            9   C8y C    18.1981  -15.6720
            10  C8y C    18.1981  -17.0760
            11  C6a C    24.1775  -16.3916
            12  O2a O    16.9870  -14.9757
            13  O1a O    16.9870  -17.7724
            14  O6a O    24.8736  -17.6027
            15  O6a O    24.8853  -15.1805
            16  O2x O    16.7184  -12.3940
            17  C1y C    15.9399  -11.2304
            18  C1y C    14.5430  -11.3229
            19  C1y C    13.9245  -12.5789
            20  C1y C    14.7031  -13.7424
            21  C1b C    16.5742   -9.9419
            22  O1a O    12.5318  -12.6711
            23  O1a O    13.7777  -10.1790
            24  O1a O    14.0928  -14.9815
            25  O1a O    15.5842   -8.9520
BOND        27
            1     2   3 1
            2     2   4 1
            3     2   5 2
            4     3   6 1
            5     3   7 2
            6     4   8 1
            7     5   9 1
            8     7  10 1
            9     8  11 1 #Up
            10    9  12 1
            11   10  13 1
            12   11  14 1
            13   11  15 2
            14    6   8 1
            15    9  10 2
            16    1  12 1 #Up
            17    1  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22    1  20 1
            23   17  21 1 #Up
            24   19  22 1 #Up
            25   18  23 1 #Down
            26   20  24 1 #Down
            27   21  25 1

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