KEGG   COMPOUND: C17097
Entry
C17097                      Compound                               
Name
Caulerpin
Formula
C24H18N2O4
Exact mass
398.1267
Mol weight
398.4107
Structure
Other DBs
CAS: 26612-48-6
PubChem: 96023570
ChEBI: 80923
KNApSAcK: C00000215
NIKKAJI: J423.318B
LinkDB
KCF data

ATOM        30
            1   C8x C    22.1020  -15.7650
            2   C8y C    23.5031  -15.7650
            3   C8y C    24.4958  -16.7505
            4   C8y C    24.4958  -18.1516
            5   C8x C    23.5031  -19.1443
            6   C8y C    22.1020  -19.1443
            7   C8y C    21.1163  -18.1516
            8   C8y C    21.1163  -16.7505
            9   C8y C    25.8283  -18.5846
            10  C8y C    26.6519  -17.4510
            11  N4x N    25.8283  -16.3175
            12  C8y C    19.7838  -16.3175
            13  C8y C    18.9602  -17.4511
            14  N4x N    19.7838  -18.5846
            15  C8x C    26.3978  -19.8635
            16  C8x C    27.7901  -20.0099
            17  C8x C    28.6136  -18.8764
            18  C8x C    28.0442  -17.5974
            19  C8x C    19.2143  -15.0386
            20  C8x C    17.8220  -14.8922
            21  C8x C    16.9985  -16.0257
            22  C8x C    17.5679  -17.3047
            23  C7a C    21.5789  -20.4012
            24  C7a C    24.0441  -14.4518
            25  O7a O    25.4019  -14.2696
            26  O6a O    23.1615  -13.3064
            27  O7a O    20.1764  -20.5838
            28  O6a O    22.4075  -21.4844
            29  C1a C    19.4764  -21.7962
            30  C1a C    26.1019  -13.0572
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   1 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12    3  11 1
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16    7  14 1
            17    9  15 2
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   10  18 2
            22   12  19 2
            23   19  20 1
            24   20  21 2
            25   21  22 1
            26   13  22 2
            27    6  23 1
            28    2  24 1
            29   24  25 1
            30   24  26 2
            31   23  27 1
            32   23  28 2
            33   27  29 1
            34   25  30 1

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