KEGG   COMPOUND: C01593
Entry
C01593                      Compound                               

Name
Limonoate
Formula
C26H34O10
Exact mass
506.2152
Mol weight
506.5422
Structure
Reaction
Enzyme
Other DBs
PubChem: 4748
ChEBI: 16419
NIKKAJI: J697.598D
KCF data

ATOM        36
            1   C1z C    23.4820  -16.8495
            2   C1z C    22.2904  -17.5582
            3   C1y C    24.6928  -17.5456
            4   C1z C    23.4820  -15.4694
            5   O2x O    23.4571  -18.4166
            6   C1y C    21.0924  -16.8744
            7   C5x C    22.2904  -18.9319
            8   C1a C    21.7555  -16.1543
            9   C6a C    26.0412  -17.1757
            10  C1x C    22.2715  -14.7859
            11  C1c C    24.6864  -14.7608
            12  C1a C    23.3503  -13.8513
            13  C1z C    19.9132  -17.5582
            14  C1x C    21.0473  -15.3754
            15  C1x C    21.0924  -19.6344
            16  O5x O    23.4695  -19.7555
            17  O6a O    26.9373  -16.3370
            18  O6a O    27.0637  -18.2230
            19  C8y C    24.6802  -13.3996
            20  O1a O    25.7591  -15.3252
            21  C1y C    19.9132  -18.9319
            22  C1y C    18.5897  -17.2133
            23  C1b C    20.8729  -16.5608
            24  C8x C    23.8773  -12.2895
            25  C8x C    25.9848  -12.9794
            26  C1z C    18.6650  -19.4712
            27  O2x O    17.7806  -18.3996
            28  C1b C    18.0033  -15.9534
            29  O1a O    20.4840  -15.3773
            30  C8x C    24.6928  -11.1917
            31  O2x O    25.9786  -11.6182
            32  C1a C    18.6650  -21.2349
            33  C1a C    17.2944  -19.9218
            34  C6a C    18.6913  -14.8997
            35  O6a O    18.4403  -13.6640
            36  O6a O    19.8893  -14.2474
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   11  19 1 #Down
            19   11  20 1
            20   13  21 1
            21   13  22 1
            22   13  23 1 #Up
            23   19  24 1
            24   19  25 2
            25   21  26 1
            26   22  27 1
            27   22  28 1
            28   23  29 1
            29   24  30 2
            30   25  31 1
            31   26  32 1 #Down
            32   26  33 1 #Up
            33   28  34 1
            34   34  35 1
            35   34  36 2
            36    3   5 1 #Up
            37   10  14 1
            38   15  21 1
            39   26  27 1
            40   30  31 1

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