KEGG   COMPOUND: C16992
Entry
C16992                      Compound                               
Name
Callinecdysone A
Formula
C27H44O7
Exact mass
480.3087
Mol weight
480.6341
Structure
Other DBs
CAS: 23261-09-8
PubChem: 96023478
ChEBI: 27495
NIKKAJI: J39.047J
LinkDB
KCF data

ATOM        34
            1   C1z C    31.4491  -29.4415
            2   C2y C    30.2656  -30.1377
            3   C1z C    31.4491  -28.0491
            4   C1x C    33.8858  -29.4415
            5   O1a O    31.4491  -30.6947
            6   C1y C    29.0820  -29.4415
            7   C2x C    30.2656  -31.4605
            8   C1y C    32.6326  -27.3529
            9   C1x C    30.2656  -27.3529
            10  C1a C    31.4491  -26.7264
            11  C1x C    33.8858  -28.0491
            12  C1z C    27.8985  -30.1377
            13  C1x C    29.0820  -28.0491
            14  C5x C    29.0820  -32.2263
            15  C1d C    32.6326  -26.0302
            16  C1y C    27.8985  -31.5301
            17  C1x C    26.7150  -29.5112
            18  C1a C    27.8985  -28.7453
            19  O5x O    29.0820  -33.4795
            20  C1c C    33.8162  -25.3340
            21  O1a O    31.4491  -25.4732
            22  C1a C    32.6326  -24.5681
            23  C1x C    26.7150  -32.2263
            24  C1y C    25.5314  -30.1377
            25  C1b C    34.9997  -26.0302
            26  O1a O    33.7466  -24.0808
            27  C1y C    25.5314  -31.5301
            28  O1a O    24.3479  -29.5112
            29  C1b C    36.1833  -25.3340
            30  O1a O    24.3479  -32.2263
            31  C1c C    37.3668  -26.0302
            32  C1b C    38.4807  -25.4036
            33  C1a C    37.3668  -27.4922
            34  O1a O    39.7339  -26.0998
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   12  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   14  19 2
            19   15  20 1
            20   15  21 1 #Up
            21   15  22 1 #Down
            22   16  23 1
            23   17  24 1
            24   20  25 1
            25   20  26 1 #Down
            26   23  27 1
            27   24  28 1 #Up
            28   25  29 1
            29   27  30 1 #Up
            30   29  31 1
            31   31  32 1
            32   31  33 1
            33    8  11 1
            34    9  13 1
            35   14  16 1
            36   24  27 1
            37   32  34 1

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