KEGG   COMPOUND: C16496
Entry
C16496                      Compound                               

Name
3-Epiecdysone
Formula
C27H44O6
Exact mass
464.3138
Mol weight
464.6347
Structure
Reaction
Pathway
map00981  Insect hormone biosynthesis
Enzyme
1.1.1.-
Other DBs
PubChem: 47205792
ChEBI: 80531
NIKKAJI: J39.049F
KCF data

ATOM        33
            1   C1y C    20.2136  -20.9970
            2   C1y C    20.2136  -22.3729
            3   C1x C    21.4051  -23.0609
            4   C1y C    22.5968  -22.3729
            5   C1z C    22.5968  -20.9970
            6   C1x C    21.4051  -20.3090
            7   C5x C    23.7883  -23.0609
            8   C2x C    24.9798  -22.3729
            9   C2y C    24.9798  -20.9970
            10  C1y C    23.7883  -20.3090
            11  C1z C    26.1715  -20.3090
            12  C1z C    26.1715  -18.9331
            13  C1x C    24.9798  -18.2452
            14  C1x C    23.7883  -18.9331
            15  C1x C    28.5546  -20.3090
            16  C1x C    28.5546  -18.9331
            17  C1y C    27.3630  -18.2452
            18  C1c C    27.3630  -16.8692
            19  C1a C    22.5968  -19.6211
            20  O1a O    19.0220  -23.0609
            21  O1a O    19.0220  -20.3090
            22  C1a C    26.1715  -17.5572
            23  C1c C    28.5586  -16.1790
            24  C1a C    26.1754  -16.1835
            25  C1b C    29.7355  -16.8586
            26  C1b C    30.9014  -16.1855
            27  C1d C    32.0727  -16.8620
            28  C1a C    33.2414  -16.1873
            29  C1a C    32.0727  -18.2449
            30  O1a O    33.2642  -17.5499
            31  O1a O    26.1715  -21.6849
            32  O5x O    23.7883  -24.4368
            33  O1a O    28.5586  -14.8056
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22    5  19 1 #Up
            23    2  20 1 #Down
            24    1  21 1 #Up
            25   12  22 1 #Up
            26   18  23 1
            27   18  24 1 #Down
            28   23  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 1
            33   27  30 1
            34   11  31 1 #Down
            35    7  32 2
            36   23  33 1 #Down

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