KEGG   COMPOUND: C08786
Entry
C08786                      Compound                               
Name
Trichilin A
Formula
C35H46O13
Exact mass
674.2938
Mol weight
674.7319
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Limonoids
    C08786  Trichilin A
Other DBs
CAS: 77182-69-5
PubChem: 10979
ChEBI: 9681
KNApSAcK: C00003734
3DMET: B02408
NIKKAJI: J934.468C
LinkDB
KCF data

ATOM        48
            1   C1z C    29.1393  -14.9087
            2   C1z C    27.9935  -15.5809
            3   C1z C    29.1102  -13.5758
            4   C1y C    30.3844  -15.3530
            5   O2x O    29.3148  -16.2124
            6   C1y C    26.8359  -14.9087
            7   C1y C    27.9935  -16.9254
            8   C1a C    28.6118  -14.2305
            9   C1y C    30.4429  -13.2133
            10  C1y C    28.0169  -12.8977
            11  C1a C    29.1685  -12.2429
            12  C1x C    31.1971  -14.2948
            13  C1z C    25.6785  -15.5634
            14  C5x C    26.8476  -13.5582
            15  C1x C    26.8242  -17.5861
            16  O1a O    29.1627  -17.5978
            17  C8y C    30.9047  -11.9096
            18  O1a O    28.0286  -11.5588
            19  C1y C    25.6726  -16.9137
            20  C1y C    24.5092  -14.9027
            21  C1x C    25.6609  -14.2246
            22  O5x O    25.6960  -12.8800
            23  C8x C    30.1272  -10.7580
            24  C8x C    32.2376  -11.5063
            25  C1z C    24.5092  -17.5802
            26  C1y C    23.3401  -15.5634
            27  O1a O    24.5035  -13.6865
            28  O2x O    24.0533  -16.0837
            29  C8x C    30.9691   -9.6648
            30  O2x O    32.2727  -10.1207
            31  C1y C    23.3401  -16.9137
            32  C1y C    24.0767  -18.8196
            33  C1a C    25.3559  -19.0590
            34  O7a O    22.1768  -14.9027
            35  O7a O    22.1768  -17.5861
            36  O7a O    22.6620  -19.1704
            37  C7a C    22.1651  -13.5173
            38  C7a C    20.9724  -16.8905
            39  C7a C    21.9721  -20.3629
            40  C1a C    20.9490  -12.8392
            41  O6a O    23.3518  -12.8158
            42  C1a C    19.7740  -17.5802
            43  O6a O    20.9783  -15.5049
            44  C1c C    20.5925  -20.3629
            45  O6a O    22.6620  -21.5673
            46  C1b C    19.8967  -21.5673
            47  C1a C    19.9027  -19.1645
            48  C1a C    18.5230  -21.5673
BOND        54
            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     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    3  11 1 #Down
            11    4  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    9  17 1 #Down
            17   10  18 1 #Up
            18   13  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 2
            22   17  23 1
            23   17  24 2
            24   19  25 1
            25   20  26 1
            26   20  27 1 #Down
            27   21  28 1
            28   23  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 1 #Up
            32   25  33 1 #Down
            33   26  34 1 #Down
            34   31  35 1 #Down
            35   32  36 1
            36   34  37 1
            37   35  38 1
            38   36  39 1
            39   37  40 1
            40   37  41 2
            41   38  42 1
            42   38  43 2
            43   39  44 1
            44   39  45 2
            45   44  46 1
            46   44  47 1 #Up
            47   46  48 1
            48    4   5 1 #Up
            49    9  12 1
            50   10  14 1
            51   15  19 1
            52   26  31 1
            53   28  32 1
            54   29  30 1

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