KEGG   COMPOUND: C16494
Entry
C16494                      Compound                               

Name
2,22-Dideoxyecdysone
Formula
C27H44O4
Exact mass
432.324
Mol weight
432.6359
Structure
Reaction
Pathway
map00981  Insect hormone biosynthesis
Enzyme
1.14.-.-
Other DBs
PubChem: 47205790
ChEBI: 80530
NIKKAJI: J372.643F
LinkDB
KCF data

ATOM        31
            1   C2y C    24.9639  -20.5094
            2   C1z C    26.1518  -19.8235
            3   C1y C    23.7760  -19.8349
            4   C2x C    25.0103  -21.9446
            5   C1z C    26.1575  -18.4449
            6   C1x C    28.5451  -19.7945
            7   O1a O    26.1458  -21.1957
            8   C1z C    22.5994  -20.5210
            9   C1x C    23.8344  -18.4565
            10  C5x C    23.7876  -22.5565
            11  C1y C    27.3512  -17.7531
            12  C1x C    24.9582  -17.7645
            13  C1a C    26.1458  -17.0669
            14  C1x C    28.5391  -18.4565
            15  C1y C    22.5994  -21.8819
            16  C1x C    21.4232  -19.8521
            17  C1a C    22.5874  -19.1428
            18  O5x O    23.8338  -23.8195
            19  C1c C    27.3570  -16.4151
            20  C1x C    21.4232  -22.5624
            21  C1x C    20.2641  -20.5210
            22  C1b C    28.5218  -15.7462
            23  C1a C    26.1575  -15.4513
            24  C1y C    20.2641  -21.8819
            25  C1b C    29.6867  -16.4267
            26  O1a O    19.0646  -22.5624
            27  C1b C    30.8400  -15.7520
            28  C1d C    32.0047  -16.4325
            29  C1a C    33.1696  -15.7578
            30  C1a C    31.9990  -18.1179
            31  O1a O    33.1524  -17.1016
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17   10  18 2
            18   11  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   20  24 1
            24   22  25 1
            25   24  26 1 #Up
            26   25  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 1
            31    9  12 1
            32   10  15 1
            33   11  14 1
            34   21  24 1

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