KEGG   COMPOUND: C03868
Entry
C03868                      Compound                               

Name
Indole-3-acetyl-myo-inositol;
Indol-3-ylacetyl-myo-inositol;
Indole-3-ylacetyl-myo-inositol
Formula
C16H19NO7
Exact mass
337.1162
Mol weight
337.3246
Structure
Reaction
Enzyme
2.3.1.72        2.4.1.156       2.4.2.34
Other DBs
PubChem: 6603
ChEBI: 15711
KNApSAcK: C00000122
NIKKAJI: J2.341.034F
KCF data

ATOM        24
            1   C1y C    23.3731  -19.2288
            2   C1y C    24.6349  -19.9463
            3   C1y C    25.8533  -19.2321
            4   C1y C    25.8441  -17.8198
            5   C1y C    24.5822  -17.1023
            6   C1y C    23.3637  -17.8165
            7   O1a O    22.1240  -17.1114
            8   O7a O    22.1703  -19.9341
            9   C7a C    20.9692  -19.2255
            10  C1b C    19.7472  -19.9310
            11  C8y C    18.5254  -19.2255
            12  O6a O    20.9692  -18.0968
            13  C8x C    18.3779  -17.8221
            14  N4x N    16.9975  -17.5287
            15  C8y C    16.2920  -18.7508
            16  C8y C    17.2363  -19.7995
            17  C8x C    14.9119  -19.0442
            18  C8x C    14.4759  -20.3860
            19  C8x C    15.4202  -21.4347
            20  C8x C    16.8003  -21.1413
            21  O1a O    24.6441  -21.3500
            22  O1a O    27.0283  -17.1261
            23  O1a O    24.5731  -15.6800
            24  O1a O    27.0600  -19.9186
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Up
            8     1   8 1 #Up
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    9  12 2
            13   11  13 2
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18   15  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   16  20 2
            23    2  21 1 #Up
            24    4  22 1 #Up
            25    5  23 1 #Down
            26    3  24 1 #Down

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