KEGG   COMPOUND: C08769
Entry
C08769                      Compound                               
Name
Isobrucein A
Formula
C26H34O11
Exact mass
522.2101
Mol weight
522.5416
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08769  Isobrucein A
Other DBs
CAS: 57629-50-2
PubChem: 10962
ChEBI: 5987
KNApSAcK: C00003717
3DMET: B02394
NIKKAJI: J40.237K
LinkDB
KCF data

ATOM        37
            1   C1z C    24.1154  -16.0065
            2   C1y C    25.4272  -15.3068
            3   C1y C    22.9669  -15.2893
            4   C1y C    24.1795  -17.4231
            5   C1x C    23.8006  -14.8463
            6   C1z C    25.4330  -13.8900
            7   C1y C    26.6515  -16.0239
            8   C1z C    21.7250  -15.9948
            9   C1y C    22.9785  -13.8667
            10  C1x C    22.9552  -18.1402
            11  O7x O    25.4039  -18.1518
            12  O2x O    24.3078  -14.0476
            13  C1y C    24.2087  -13.1672
            14  C7a C    26.6574  -13.1787
            15  C7x C    26.6398  -17.4522
            16  O7a O    27.8933  -15.3243
            17  C1y C    21.7193  -17.4172
            18  C1y C    20.5008  -15.2835
            19  C1a C    21.7134  -14.5722
            20  O1a O    21.7367  -12.5956
            21  O1a O    24.2028  -11.7387
            22  O7a O    27.8933  -13.8900
            23  O6a O    26.6574  -11.7504
            24  O6a O    27.8700  -18.1752
            25  C7a C    29.1118  -16.0298
            26  C2y C    20.5008  -18.1344
            27  C5x C    19.2649  -15.9948
            28  O1a O    20.4891  -13.8609
            29  C1a C    29.1235  -13.1787
            30  C1b C    30.3420  -15.3185
            31  O6a O    29.1118  -17.4581
            32  C2x C    19.2649  -17.4172
            33  C1a C    20.5065  -19.5570
            34  O5x O    18.0347  -15.2835
            35  C1c C    31.5721  -16.0298
            36  C1a C    32.8021  -15.3185
            37  C1a C    31.5721  -17.4581
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   18  28 1 #Up
            28   22  29 1
            29   25  30 1
            30   25  31 2
            31   26  32 2
            32   26  33 1
            33   27  34 2
            34   30  35 1
            35   35  36 1
            36   35  37 1
            37    6  12 1 #Up
            38    9  13 1
            39   10  17 1
            40   11  15 1
            41   27  32 1

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