KEGG   COMPOUND: C20787
Entry
C20787                      Compound                               

Name
23,24-Dihydrocucurbitacin B
Formula
C32H48O8
Exact mass
560.3349
Mol weight
560.7187
Structure
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Cucurbitanes
    C20787  23,24-Dihydrocucurbitacin B
Other DBs
PubChem: 254741254
ChEMBL: CHEMBL553851
KCF data

ATOM        40
            1   C1z C    18.6618  -16.9541
            2   C1z C    18.6792  -15.5939
            3   C1y C    17.4818  -17.6284
            4   C1x C    21.0277  -16.9832
            5   C1a C    18.6502  -18.3143
            6   C1y C    19.8650  -14.9254
            7   C1x C    17.5050  -14.8962
            8   C1a C    18.6734  -14.2220
            9   C1z C    16.3075  -16.9424
            10  C1x C    17.4818  -18.9945
            11  C1y C    21.0393  -15.6230
            12  C1d C    19.8593  -13.5535
            13  C5x C    16.3192  -15.5765
            14  C1y C    15.1158  -17.6110
            15  C1a C    16.9219  -18.3027
            16  C2x C    16.2959  -19.6746
            17  O1a O    22.2310  -14.9254
            18  C5a C    21.0393  -12.8733
            19  C1a C    18.6038  -13.0124
            20  O1a O    19.8534  -11.9034
            21  O5x O    15.1391  -14.8730
            22  C2y C    15.1101  -18.9829
            23  C1x C    13.9358  -16.9367
            24  C1b C    22.2310  -13.5476
            25  O5a O    21.0393  -11.5014
            26  C1z C    13.9358  -19.6746
            27  C1y C    12.7441  -17.6110
            28  C1b C    23.4051  -12.8675
            29  C5x C    12.7441  -18.9829
            30  C1a C    13.2382  -20.8606
            31  C1a C    14.6101  -20.8606
            32  O1a O    11.5467  -16.9367
            33  C1d C    24.5911  -13.5419
            34  O5x O    11.5524  -19.6746
            35  O7a O    24.5852  -14.9138
            36  C1a C    25.7711  -12.8501
            37  C1a C    25.7711  -14.2278
            38  C7a C    24.5795  -16.2798
            39  C1a C    25.7595  -16.9774
            40  O6a O    23.3821  -16.9658
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 1
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Up
            32   28  33 1
            33   29  34 2
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37   35  38 1
            38   38  39 1
            39   38  40 2
            40    6  11 1
            41    9  13 1
            42   16  22 2
            43   27  29 1

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