KEGG   COMPOUND: C09501
Entry
C09501                      Compound                               
Name
Melampodinin
Formula
C25H30O12
Exact mass
522.1737
Mol weight
522.4985
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Germacrenes
    C09501  Melampodinin sesqui
Other DBs
CAS: 60295-53-6
PubChem: 11692
ChEBI: 6726
KNApSAcK: C00003323
3DMET: B03025
NIKKAJI: J18.337G
LinkDB
KCF data

ATOM        37
            1   O7a O    25.4539  -16.3913
            2   C7a C    26.6988  -15.5730
            3   C1d C    27.8801  -16.2572
            4   O6a O    26.6988  -14.4917
            5   C1c C    29.0614  -15.5730
            6   O7a O    30.2427  -16.2572
            7   O1a O    28.5572  -17.7033
            8   C7a C    31.4239  -15.5730
            9   C1a C    32.5981  -16.2572
            10  O6a O    31.4239  -14.2117
            11  C1y C    24.0793  -15.8611
            12  C1y C    23.1299  -16.7907
            13  C1y C    24.3501  -14.4714
            14  C1y C    21.7737  -16.7707
            15  C2y C    23.5313  -18.0862
            16  C2y C    23.6582  -13.1644
            17  O7a O    25.0689  -13.4615
            18  C2x C    21.0431  -15.4353
            19  O7x O    21.3383  -18.0542
            20  C7x C    22.4230  -18.8665
            21  C2a C    24.8177  -18.5340
            22  C2x C    22.3556  -12.4098
            23  C7a C    24.1150  -12.1402
            24  C7a C    26.4830  -13.0973
            25  C2y C    19.7337  -14.7445
            26  O6a O    22.3981  -20.2326
            27  C1y C    20.8921  -12.4186
            28  O7a O    25.4735  -12.0820
            29  O6a O    23.4441  -10.9599
            30  C1a C    27.0386  -11.8473
            31  O6a O    27.5213  -13.8503
            32  C1y C    20.0365  -13.4742
            33  C1a C    18.2189  -14.7419
            34  O2x O    19.5471  -12.2047
            35  C1a C    26.1611  -10.7038
            36  C1a C    26.9663  -17.4277
            37  C1a C    29.1037  -14.2610
BOND        39
            1     5   6 1
            2     1   2 1
            3     3   7 1 #Up
            4     2   4 2
            5     6   8 1
            6     8   9 1
            7     3   5 1
            8    11  12 1
            9    11  13 1
            10   11   1 1 #Up
            11   12  14 1
            12   12  15 1
            13   13  16 1
            14   13  17 1 #Down
            15   14  18 1
            16   14  19 1
            17   15  20 1
            18   15  21 2
            19   16  22 2
            20   16  23 1
            21   17  24 1
            22   18  25 2
            23   20  26 2
            24   22  27 1
            25   23  28 1
            26   23  29 2
            27   24  30 1
            28   24  31 2
            29   25  32 1
            30   25  33 1
            31   27  34 1
            32   28  35 1
            33   19  20 1
            34   27  32 1
            35   32  34 1
            36    8  10 2
            37    3  36 1 #Down
            38    2   3 1
            39    5  37 1 #Down

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