KEGG   COMPOUND: C04695
Entry
C04695                      Compound                               

Name
5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside
Formula
C22H29NO12
Exact mass
499.169
Mol weight
499.4652
Structure
Reaction
Enzyme
Other DBs
PubChem: 7273
ChEBI: 17391 182762
NIKKAJI: J2.752.958E
KCF data

ATOM        35
            1   C8y C    24.4068  -13.5936
            2   C1b C    25.5873  -14.2731
            3   C7a C    26.7664  -13.5896
            4   O7a O    27.9517  -14.2607
            5   O6a O    26.7600  -12.2225
            6   C1y C    29.1308  -14.9380
            7   C1y C    30.3161  -14.2607
            8   C1y C    29.1308  -16.3177
            9   C1y C    31.5139  -14.9380
            10  O1a O    30.3097  -12.8935
            11  C1y C    30.3161  -17.0137
            12  O1a O    27.9517  -16.9950
            13  C1y C    31.5139  -16.3177
            14  O1a O    32.7870  -14.4049
            15  O1a O    30.3097  -18.3811
            16  O2a O    32.6930  -16.9950
            17  C1y C    33.9598  -17.6221
            18  C1y C    33.9598  -18.9831
            19  O2x O    35.1515  -16.9448
            20  C1y C    35.1515  -19.6729
            21  O1a O    32.7745  -19.6729
            22  C1y C    36.3306  -17.6221
            23  C1y C    36.3306  -18.9831
            24  O1a O    35.1515  -21.0339
            25  O1a O    37.5159  -19.6668
            26  C1b C    37.5430  -16.9221
            27  O1a O    38.7456  -17.6167
            28  C8x C    24.3952  -12.1804
            29  N4x N    23.0476  -11.7548
            30  C8y C    22.2263  -12.9048
            31  C8y C    23.0664  -14.0413
            32  C8x C    20.8352  -13.0626
            33  C8x C    20.2763  -14.3462
            34  C8x C    21.1163  -15.4827
            35  C8x C    22.5074  -15.3249
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     6   4 1 #Up
            6     6   7 1
            7     6   8 1
            8     7   9 1
            9     7  10 1 #Up
            10    8  11 1
            11    8  12 1 #Up
            12    9  13 1
            13    9  14 1 #Down
            14   11  15 1 #Down
            15   13  16 1 #Up
            16   17  16 1 #Down
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 1 #Up
            21   19  22 1
            22   20  23 1
            23   20  24 1 #Down
            24   23  25 1 #Down
            25   11  13 1
            26   22  23 1
            27   22  26 1 #Down
            28   26  27 1
            29    1  28 2
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33    1  31 1
            34   30  32 2
            35   32  33 1
            36   33  34 2
            37   34  35 1
            38   31  35 2

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