KEGG   COMPOUND: C09121Help
Entry
C09121                      Compound                               

Name
Jodrellin A
Formula
C24H32O8
Exact mass
448.2097
Mol weight
448.5061
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Others
    C09121  Jodrellin A
BRITE hierarchy
Other DBs
CAS: 124901-80-0
PubChem: 11313
ChEBI: 6091
ChEMBL: CHEMBL507523
KNApSAcK: C00003447
3DMET: B05322
NIKKAJI: J764.451E
KCF data Show

ATOM        32
            1   C1z C    25.9126  -26.1984
            2   C1x C    25.2077  -27.4038
            3   O2x O    26.6088  -27.4054
            4   C1z C    27.0925  -25.5161
            5   C1y C    27.0984  -24.1509
            6   C1y C    27.2150  -26.8812
            7   C1y C    28.2710  -26.2045
            8   C1x C    24.7298  -25.5161
            9   C1z C    28.2827  -23.4742
            10  C1x C    25.9141  -23.4683
            11  O2x O    25.9082  -24.8334
            12  O7a O    27.2734  -29.1038
            13  C1x C    29.4610  -25.5278
            14  C1y C    24.7298  -24.1509
            15  C1y C    28.2884  -22.1031
            16  C1y C    29.4670  -24.1626
            17  C1a C    29.4610  -22.7741
            18  C7a C    26.5967  -30.2881
            19  C1x C    29.4027  -21.3098
            20  O2x O    27.1916  -21.2922
            21  C1a C    30.6570  -23.4799
            22  C1a C    27.2792  -31.4724
            23  O6a O    25.2256  -30.2939
            24  C1y C    28.9827  -19.9912
            25  C1y C    27.6117  -19.9912
            26  C2x C    29.4143  -18.6844
            27  O2x O    27.1916  -18.6844
            28  C2x C    28.3001  -17.8794
            29  O7a O    28.2632  -27.5799
            30  C7a C    29.2531  -28.5698
            31  C1a C    30.6143  -28.2052
            32  O6a O    28.8937  -29.9112
BOND        37
            1     1   2 1 #Up
            2     1   3 1 #Down
            3     3   2 1
            4     4   1 1
            5     4   5 1
            6     4   6 1
            7     4   7 1
            8     1   8 1
            9     5   9 1
            10    5  10 1
            11    6  11 1
            12    6  12 1 #Up
            13    7  13 1
            14    8  14 1
            15    9  15 1
            16    9  16 1
            17    9  17 1 #Down
            18   12  18 1
            19   15  19 1
            20   15  20 1
            21   16  21 1 #Down
            22   18  22 1
            23   18  23 2
            24   19  24 1
            25   20  25 1
            26   24  26 1
            27   25  27 1
            28   26  28 2
            29   10  14 1
            30   14  11 1 #Down
            31   13  16 1
            32   24  25 1
            33   27  28 1
            34    7  29 1 #Down
            35   29  30 1
            36   30  31 1
            37   30  32 2

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