KEGG   COMPOUND: C08754Help
Entry
C08754                      Compound                               

Name
Brusatol
Formula
C26H32O11
Exact mass
520.1945
Mol weight
520.5257
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08754  Brusatol
BRITE hierarchy
Other DBs
CAS: 14907-98-3
PubChem: 10947
ChEBI: 3197
KNApSAcK: C00003704
3DMET: B02379
NIKKAJI: J34.210F
KCF data Show

ATOM        37
            1   C1z C    24.1783  -15.9546
            2   C1y C    25.4109  -15.2421
            3   C1y C    22.9340  -15.2304
            4   C1y C    24.1666  -17.3799
            5   C1x C    24.0733  -14.9908
            6   C1z C    25.4285  -13.8167
            7   C1y C    26.6377  -15.9722
            8   C1z C    21.6957  -15.9371
            9   C1y C    22.9516  -13.7991
            10  C1x C    22.9283  -18.0926
            11  O7x O    25.3992  -18.1043
            12  O2x O    24.4413  -14.1143
            13  C1y C    24.2017  -13.0923
            14  C7a C    26.6785  -13.1157
            15  C7x C    26.6377  -17.4033
            16  O7a O    27.8526  -15.2829
            17  C1y C    21.6899  -17.3742
            18  C1x C    20.4574  -15.2244
            19  C1a C    21.6840  -14.5060
            20  O1a O    21.7074  -13.0747
            21  O1a O    24.2076  -11.6553
            22  O7a O    27.8994  -13.8458
            23  O6a O    26.6902  -11.6846
            24  O6a O    27.8818  -18.1219
            25  C7a C    29.0909  -15.9839
            26  C2y C    20.4574  -18.0868
            27  C5x C    19.2131  -15.9371
            28  C1a C    29.1319  -13.1215
            29  C2b C    30.3294  -15.2712
            30  O6a O    29.0909  -17.4267
            31  C2y C    19.2131  -17.3742
            32  C1a C    20.4574  -19.5237
            33  O5x O    17.9689  -15.2244
            34  C2c C    31.5678  -15.9779
            35  O1a O    17.9689  -18.0868
            36  C1a C    32.8061  -15.2654
            37  C1a C    31.5678  -17.4209
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 1
            27   22  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 2
            31   26  32 1
            32   27  33 2
            33   29  34 2
            34   31  35 1
            35   34  36 1
            36   34  37 1
            37    6  12 1 #Up
            38    9  13 1
            39   10  17 1
            40   11  15 1
            41   27  31 1

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