KEGG   COMPOUND: C09077
Entry
C09077                      Compound                               
Name
Columbin
Formula
C20H22O6
Exact mass
358.1416
Mol weight
358.3851
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Clerodanes
    C09077  Columbin
Other DBs
CAS: 546-97-4
PubChem: 11269
ChEBI: 3829
KNApSAcK: C00003417
3DMET: B02665
NIKKAJI: J9.412I
KCF data

ATOM        26
            1   C8y C    26.7788  -12.7259
            2   C8x C    27.8938  -11.8974
            3   O2x O    27.4505  -10.5812
            4   C8x C    26.0618  -10.5963
            5   C8x C    25.6464  -11.9216
            6   C1y C    24.4130  -16.7589
            7   C1z C    24.4072  -18.1119
            8   C1z C    25.6538  -16.0882
            9   C1y C    23.2397  -16.0825
            10  C1z C    23.2397  -18.7883
            11  C1x C    25.5722  -18.7940
            12  C1a C    24.5284  -19.3186
            13  C1y C    26.7444  -16.7763
            14  C1x C    25.5955  -14.7415
            15  C1a C    25.0122  -17.4353
            16  C2x C    22.0619  -16.7589
            17  C7x C    22.9478  -20.0297
            18  C2x C    22.0619  -18.1119
            19  O1a O    24.0737  -20.3800
            20  C1x C    26.7444  -18.1235
            21  C7x C    27.9222  -16.1116
            22  C1y C    26.7677  -14.0708
            23  O6a O    21.7004  -20.7707
            24  O7x O    27.9337  -14.7589
            25  O6a O    29.0883  -16.7939
            26  O7x O    22.9827  -17.1781
BOND        30
            1     5   1 1
            2     1   2 2
            3     2   3 1
            4     3   4 1
            5     6   7 1
            6     6   8 1
            7     6   9 1
            8     7  10 1
            9     7  11 1
            10    7  12 1 #Down
            11    8  13 1
            12    8  14 1
            13    8  15 1 #Up
            14    9  16 1
            15   10  17 1 #Up
            16   10  18 1
            17   10  19 1 #Down
            18   11  20 1
            19   13  21 1
            20   14  22 1
            21   17  23 2
            22   21  24 1
            23   21  25 2
            24   22   1 1 #Up
            25   13  20 1
            26   16  18 2
            27   22  24 1
            28    4   5 2
            29    9  26 1 #Up
            30   26  17 1

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