KEGG   COMPOUND: C22121Help
Entry
C22121                      Compound                               

Name
Cycloeucalenone
Formula
C30H48O
Exact mass
424.3705
Mol weight
424.7015
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.270       1.1.1.418
Other DBs
ChEMBL: CHEMBL225754
KCF data Show

ATOM        31
            1   C1z C    16.2832  -16.7722
            2   C1z C    15.0252  -17.4711
            3   C1y C    17.4013  -17.3313
            4   C1x C    15.0252  -16.0734
            5   C1x C    16.2832  -15.3746
            6   C1y C    15.0252  -18.7989
            7   C1x C    13.8372  -16.7722
            8   C1z C    18.6592  -16.7722
            9   C1x C    17.4013  -18.8688
            10  C1x C    17.4712  -14.6757
            11  C1x C    16.2133  -19.4977
            12  C1y C    13.8372  -19.4977
            13  C1x C    12.6492  -17.4711
            14  C1z C    18.6592  -15.3746
            15  C1x C    21.0353  -16.7722
            16  C1a C    18.5893  -18.0302
            17  C5x C    12.6492  -18.7989
            18  C1a C    13.8372  -21.0352
            19  C1y C    19.8473  -14.7456
            20  C1a C    18.6592  -14.0468
            21  C1x C    21.0353  -15.4444
            22  O5x O    11.4611  -19.4977
            23  C1c C    19.8473  -13.3479
            24  C1b C    21.0353  -12.6491
            25  C1a C    18.6592  -12.6491
            26  C1b C    22.2233  -13.4178
            27  C2c C    23.4813  -12.7189
            28  C1c C    24.6693  -13.4178
            29  C2a C    23.4813  -11.3213
            30  C1a C    25.8573  -12.7189
            31  C1a C    24.6693  -14.8155
BOND        35
            1     1   3 1
            2     1   4 1 #Up
            3     1   5 1
            4     2   6 1
            5     2   7 1
            6     3   8 1
            7     3   9 1
            8     5  10 1
            9     6  11 1
            10    6  12 1
            11    7  13 1
            12    8  14 1
            13    8  15 1
            14    8  16 1 #Down
            15   12  17 1
            16   12  18 1 #Down
            17   14  19 1
            18   14  20 1 #Up
            19   15  21 1
            20   17  22 2 #Up
            21   19  23 1
            22   23  24 1
            23   23  25 1 #Down
            24   24  26 1
            25   26  27 1
            26   27  28 1
            27   27  29 2
            28   28  30 1
            29   28  31 1
            30    2   4 1 #Up
            31    9  11 1
            32   10  14 1
            33   13  17 1
            34   19  21 1
            35    1   2 1

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