KEGG   COMPOUND: C21842
Entry
C21842                      Compound                               
Name
11-Hydroxycucurbitadienol
Formula
C30H50O2
Exact mass
442.3811
Mol weight
442.72
Structure
Reaction
Enzyme
Other DBs
PubChem: 375580935
LinkDB
KCF data

ATOM        32
            1   C1x C    12.7624  -17.0399
            2   C1y C    12.7624  -18.4423
            3   C1z C    13.9545  -19.1437
            4   C2y C    15.1467  -18.4423
            5   C1y C    15.1467  -17.0399
            6   C1x C    13.9545  -16.3387
            7   C2x C    16.3387  -19.1437
            8   C1x C    17.5308  -18.4423
            9   C1y C    17.5308  -17.0399
            10  C1z C    16.3387  -16.3387
            11  C1z C    18.7228  -16.3387
            12  C1z C    18.7228  -15.0064
            13  C1x C    17.5308  -14.3051
            14  C1y C    16.3387  -15.0064
            15  C1y C    19.9150  -14.3051
            16  C1x C    21.1071  -15.0064
            17  C1c C    19.9150  -12.9728
            18  C1b C    21.1071  -12.2716
            19  C1b C    22.2290  -12.9026
            20  C2b C    23.4212  -12.2716
            21  C2c C    24.5430  -12.9026
            22  C1a C    25.7352  -12.2716
            23  C1a C    24.5430  -14.3051
            24  C1x C    21.1071  -16.3387
            25  C1a C    12.9728  -20.0552
            26  C1a C    14.9363  -20.0552
            27  C1a C    18.7228  -12.2716
            28  C1a C    18.7228  -17.7411
            29  O1a O    11.5002  -19.1437
            30  C1a C    15.9180  -17.6009
            31  C1a C    18.7228  -13.6039
            32  O1a O    15.1263  -14.3063
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   12  15 1
            18   15  16 1
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   21  23 1
            26   16  24 1
            27   24  11 1
            28    3  25 1
            29    3  26 1
            30   17  27 1 #Down
            31   11  28 1 #Down
            32    2  29 1 #Up
            33   10  30 1 #Up
            34   12  31 1 #Up
            35   14  32 1

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