KEGG   COMPOUND: C16717
Entry
C16717                      Compound                               

Name
Limonoate D-ring-lactone
Formula
C26H32O9
Exact mass
488.2046
Mol weight
488.5269
Structure
Reaction
Enzyme
Other DBs
PubChem: 96023241
ChEBI: 16226
NIKKAJI: J82.300G
KCF data

ATOM        35
            1   C1z C    28.4885  -22.0537
            2   C1z C    27.2789  -22.7629
            3   C1y C    29.7108  -22.7566
            4   C1z C    28.4885  -20.6542
            5   O2x O    28.4821  -23.4278
            6   C1y C    26.0694  -22.0727
            7   C5x C    27.2789  -24.1561
            8   C1a C    26.7135  -21.3888
            9   C7x C    30.9266  -22.0600
            10  C1y C    29.6982  -19.9449
            11  C1x C    27.2599  -19.9703
            12  C1a C    28.4821  -19.2736
            13  C1z C    24.8788  -22.7629
            14  C1x C    26.0504  -20.6795
            15  C1x C    26.0694  -24.8590
            16  O5x O    28.4695  -24.8401
            17  O7x O    30.9204  -20.6477
            18  O6a O    32.1237  -22.7503
            19  C8y C    29.6918  -18.5644
            20  C1y C    24.8788  -24.1561
            21  C1y C    23.5554  -22.3450
            22  C1b C    24.9884  -21.3868
            23  C8x C    28.5708  -17.7600
            24  C8x C    30.8063  -17.7473
            25  C1z C    23.5489  -24.5868
            26  O2x O    22.7448  -23.4531
            27  C1b C    23.2451  -20.9834
            28  C8x C    29.0016  -16.4491
            29  O2x O    30.3632  -16.4429
            30  C1a C    22.2950  -25.4099
            31  C1a C    23.5544  -26.2968
            32  C6a C    21.9076  -20.5704
            33  O6a O    21.9076  -19.1704
            34  O6a O    20.6951  -21.2704
            35  O1a O    23.9985  -20.3969
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17    9  18 2
            18   10  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Up
            27   23  28 2
            28   24  29 1
            29   25  30 1
            30   25  31 1
            31    3   5 1 #Up
            32   10  17 1
            33   11  14 1
            34   15  20 1
            35   25  26 1
            36   28  29 1
            37   27  32 1
            38   32  33 1
            39   32  34 2
            40   22  35 1

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