KEGG   COMPOUND: C08985
Entry
C08985                      Compound                               
Name
Thalicoside A
Formula
C42H70O14
Exact mass
798.4766
Mol weight
798.9968
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08985  Thalicoside A
Other DBs
CAS: 93208-45-8
PubChem: 11177
ChEBI: 9510
KNApSAcK: C00003555
3DMET: B02587
NIKKAJI: J2.767.725H
LinkDB
KCF data

ATOM        56
            1   C1y C    16.7311  -19.7956
            2   O2x O    15.5298  -19.1052
            3   C1y C    16.7313  -21.1812
            4   C1y C    14.3310  -19.8085
            5   C1y C    15.5354  -21.8795
            6   O1a O    17.9326  -21.8717
            7   C1y C    14.3339  -21.1892
            8   C1b C    13.1295  -19.1181
            9   O1a O    15.5435  -23.2632
            10  O1a O    13.1409  -21.8824
            11  O1a O    13.1324  -17.7274
            12  C1z C    22.7525  -16.3434
            13  C1z C    21.5483  -17.0273
            14  C1y C    23.9392  -17.0390
            15  C1x C    21.5423  -15.6418
            16  C1x C    22.7642  -14.9578
            17  C1y C    21.5423  -18.4129
            18  C1x C    20.3556  -16.3374
            19  C1z C    25.1376  -16.3551
            20  C1x C    23.9392  -18.4246
            21  C1x C    23.9626  -14.2796
            22  C1z C    20.3556  -19.1027
            23  C1x C    22.7408  -19.1085
            24  C1x C    19.1514  -17.0273
            25  C1z C    25.1553  -14.9812
            26  C1x C    27.5228  -16.3842
            27  C1a C    25.1259  -17.7347
            28  C1y C    19.1514  -18.4129
            29  C1b C    20.7064  -20.4413
            30  C1a C    19.6541  -20.3011
            31  C1y C    26.3537  -14.3090
            32  C1a C    25.1493  -13.5957
            33  C1y C    27.5404  -15.0105
            34  O2a O    17.9530  -19.1085
            35  O2a O    19.9991  -21.6515
            36  C1c C    26.2954  -12.9234
            37  O1a O    28.7506  -14.3324
            38  C1y C    21.2092  -22.3530
            39  C1c C    27.5579  -12.2395
            40  C1a C    25.1670  -12.2278
            41  O2x O    21.2033  -23.7386
            42  C1y C    22.4076  -21.6691
            43  C1b C    28.7563  -12.9293
            44  O1a O    27.5579  -10.8656
            45  C1y C    22.3959  -24.4342
            46  C1y C    23.6118  -22.3647
            47  O1a O    22.4134  -20.2835
            48  C2b C    29.9490  -12.2452
            49  C1y C    23.6001  -23.7501
            50  C1b C    22.3900  -25.8196
            51  O1a O    24.8103  -21.6808
            52  C2c C    31.1474  -12.9410
            53  O1a O    24.7928  -24.4459
            54  O1a O    21.1858  -26.5095
            55  C1a C    32.3400  -12.2512
            56  C1a C    31.1415  -14.3207
BOND        62
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     7  10 1 #Down
            10    8  11 1
            11    5   7 1
            12   12  13 1
            13   12  14 1
            14   12  15 1 #Up
            15   12  16 1
            16   13  17 1
            17   13  18 1
            18   14  19 1
            19   14  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1
            23   18  24 1
            24   19  25 1
            25   19  26 1
            26   19  27 1 #Down
            27   22  28 1
            28   22  29 1 #Down
            29   22  30 1 #Up
            30   25  31 1
            31   25  32 1 #Up
            32   26  33 1
            33   28  34 1 #Up
            34   29  35 1
            35   31  36 1
            36   33  37 1 #Up
            37   38  35 1 #Up
            38   36  39 1
            39   36  40 1 #Down
            40   38  41 1
            41   38  42 1
            42   39  43 1
            43   39  44 1 #Up
            44   41  45 1
            45   42  46 1
            46   42  47 1 #Down
            47   43  48 1
            48   45  49 1
            49   45  50 1 #Up
            50   46  51 1 #Up
            51   48  52 2
            52   49  53 1 #Down
            53   50  54 1
            54   52  55 1
            55   52  56 1
            56   13  15 1 #Up
            57   20  23 1
            58   21  25 1
            59   24  28 1
            60   31  33 1
            61   46  49 1
            62    1  34 1 #Up

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