KEGG   COMPOUND: C08635Help
Entry
C08635                      Compound                               

Name
Taccalonolide A
Formula
C36H46O14
Exact mass
702.2888
Mol weight
702.742
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08635  Taccalonolide A
BRITE hierarchy
Other DBs
CAS: 108885-68-3
PubChem: 10828
ChEBI: 9388
ChEMBL: CHEMBL1821838
LIPIDMAPS: LMST01160016
KNApSAcK: C00003756
3DMET: B02288
NIKKAJI: J1.934.836I
KCF data Show

ATOM        50
            1   C1z C    25.3983  -14.9275
            2   C1y C    25.3866  -16.3038
            3   C1y C    26.6054  -14.2570
            4   C1y C    24.2145  -14.2453
            5   C1a C    25.3923  -13.6913
            6   C1y C    24.1969  -16.9803
            7   C1y C    27.7775  -16.3271
            8   C1y C    27.7775  -14.9509
            9   C1y C    26.6171  -12.8807
            10  C1y C    23.0247  -14.9218
            11  O7a O    23.8528  -12.1691
            12  C1y C    23.0190  -16.2864
            13  C1y C    24.1969  -18.3508
            14  O7a O    28.9554  -17.0153
            15  C1z C    28.9730  -14.2803
            16  C2x C    27.8124  -12.2159
            17  C1a C    25.9406  -11.4691
            18  O7a O    21.5552  -13.5977
            19  C7a C    23.8585  -10.7928
            20  C1z C    21.8235  -16.9803
            21  C5x C    23.0190  -19.0330
            22  O1a O    25.3807  -19.0330
            23  C7a C    28.9497  -18.4206
            24  C2y C    28.9904  -12.9098
            25  C1a C    28.9554  -15.6449
            26  C7a C    21.5552  -12.2215
            27  C1a C    25.0132  -10.0463
            28  O6a O    22.6456  -10.1630
            29  C1y C    20.6397  -16.2864
            30  C1y C    21.8235  -18.3508
            31  C1a C    21.7418  -15.8840
            32  O5x O    23.0014  -20.4152
            33  C1a C    30.1568  -19.1204
            34  O6a O    27.7309  -19.1087
            35  C1a C    20.3771  -11.5393
            36  O6a O    22.6047  -11.4633
            37  C1y C    19.4442  -16.9686
            38  O7a O    20.5754  -14.9159
            39  C1x C    20.6397  -19.0330
            40  C1y C    19.4442  -18.3508
            41  O2x O    18.2428  -17.6626
            42  C7a C    19.3742  -14.2337
            43  C1a C    18.1845  -14.9159
            44  O6a O    19.3683  -13.0615
            45  C1z C    30.2711  -14.7204
            46  C7x C    31.0907  -13.6219
            47  O7x O    30.2993  -12.5029
            48  O6a O    32.4800  -13.6397
            49  C1a C    31.6711  -14.7204
            50  O1a O    31.5311  -15.7928
BOND        56
            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 #Down
            11    6  12 1
            12    6  13 1
            13    7  14 1 #Down
            14    8  15 1
            15    9  16 1
            16    9  17 1 #Down
            17   10  18 1 #Down
            18   11  19 1
            19   12  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   14  23 1
            23   15  24 1
            24   15  25 1 #Up
            25   18  26 1
            26   19  27 1
            27   19  28 2
            28   20  29 1
            29   20  30 1
            30   20  31 1 #Up
            31   21  32 2
            32   23  33 1
            33   23  34 2
            34   26  35 1
            35   26  36 2
            36   29  37 1
            37   29  38 1 #Down
            38   30  39 1
            39   37  40 1
            40   37  41 1
            41   38  42 1
            42   42  43 1
            43   42  44 2
            44    7   8 1
            45   10  12 1
            46   16  24 2
            47   21  30 1
            48   39  40 1
            49   40  41 1
            50   15  45 1
            51   45  46 1
            52   46  47 1
            53   24  47 1
            54   46  48 2
            55   45  49 1 #Down
            56   45  50 1 #Up

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