KEGG   COMPOUND: C09055
Entry
C09055                      Compound                               
Name
6-Acetylpicropolin
Formula
C24H28O9
Exact mass
460.1733
Mol weight
460.4737
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Clerodanes
    C09055  6-Acetylpicropolin
Other DBs
CAS: 116187-56-5
PubChem: 11247
ChEBI: 2169
3DMET: B02647
NIKKAJI: J38.485B
LinkDB
KCF data

ATOM        33
            1   C1z C    26.0802  -14.9281
            2   C7x C    27.2800  -14.2256
            3   O7x O    26.8426  -12.7275
            4   C1y C    25.5990  -12.7309
            5   C1x C    25.0413  -14.0042
            6   C1z C    24.8544  -17.0322
            7   C1z C    23.6462  -17.7326
            8   C1y C    24.8602  -15.6256
            9   C1y C    26.0684  -17.7326
            10  C1b C    24.8428  -18.4272
            11  C1x C    22.9401  -18.9408
            12  O2x O    24.3466  -18.9467
            13  C1x C    22.4323  -17.0322
            14  C1x C    23.6522  -14.9252
            15  C5x C    27.2883  -17.0438
            16  O7a O    26.8267  -19.0576
            17  O7a O    25.5432  -19.6412
            18  C1x C    22.4323  -15.6256
            19  C1y C    27.2942  -15.6373
            20  C7a C    28.0291  -19.8338
            21  C7a C    24.8487  -20.8551
            22  C1a C    28.5141  -14.9369
            23  C1a C    28.0175  -21.2346
            24  O6a O    29.2431  -19.1508
            25  C1a C    25.5432  -22.0576
            26  O6a O    23.4479  -20.8551
            27  O2x O    26.2739   -9.1704
            28  C8x C    24.8763   -9.1819
            29  C8x C    24.4550  -10.5145
            30  C8x C    26.7165  -10.4964
            31  C8y C    25.5894  -11.3361
            32  O5x O    28.4927  -17.7503
            33  O6a O    28.4794  -13.5195
BOND        37
            1     6   8 1
            2     6   9 1
            3     6  10 1 #Down
            4     7  11 1 #Up
            5     7  12 1 #Down
            6     7  13 1
            7     8   1 1
            8     8  14 1
            9     9  15 1
            10    9  16 1 #Down
            11   10  17 1
            12   13  18 1
            13    1  19 1
            14   16  20 1
            15   17  21 1
            16   19  22 1 #Down
            17   20  23 1
            18   20  24 2
            19   21  25 1
            20   21  26 2
            21   11  12 1
            22   14  18 1
            23   15  19 1
            24    4  31 1 #Up
            25    4   5 1
            26    1   5 1 #Up
            27   30  27 1
            28   27  28 1
            29   28  29 2
            30   29  31 1
            31    1   2 1 #Down
            32    2   3 1
            33   30  31 2
            34    3   4 1
            35   15  32 2
            36    6   7 1
            37    2  33 2

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