KEGG   COMPOUND: C20716
Entry
C20716                      Compound                               

Name
Protopanaxatriol;
Dammar-24-ene-3beta,6alpha,12beta,20-tetrol
Formula
C30H52O4
Exact mass
476.3866
Mol weight
476.7315
Structure
Reaction
Enzyme
Other DBs
CAS: 34080-08-5
PubChem: 254741185
ChEMBL: CHEMBL255683 CHEMBL3349973
KCF data

ATOM        34
            1   C1y C    18.7600  -17.0100
            2   C1z C    19.9500  -17.7100
            3   C1z C    17.5000  -17.7100
            4   C1x C    18.7600  -15.6800
            5   C1z C    21.2100  -17.0100
            6   C1x C    19.9500  -19.1100
            7   C1a C    21.2800  -19.1800
            8   C1y C    17.5000  -19.1100
            9   C1a C    17.5000  -16.3100
            10  C1y C    19.9500  -14.9800
            11  C1y C    21.2100  -15.6800
            12  C1x C    23.5200  -17.0100
            13  C1a C    22.4700  -18.2700
            14  C1y C    18.7600  -19.8100
            15  C1y C    22.3300  -15.0500
            16  C1x C    23.5200  -15.6800
            17  C1d C    22.3300  -13.6500
            18  C1b C    23.5200  -13.0200
            19  O1a O    21.2100  -13.0200
            20  C1a C    22.3300  -12.3200
            21  C1b C    24.7100  -13.6500
            22  C2b C    25.9000  -12.9500
            23  C2c C    27.0200  -13.6500
            24  C1a C    28.2100  -12.9500
            25  C1a C    27.0200  -14.9800
            26  O1a O    19.9500  -13.8600
            27  O1a O    18.8300  -21.2100
            28  C1x C    16.3100  -17.0100
            29  C1x C    15.1200  -17.7100
            30  C1y C    15.1200  -19.1100
            31  C1z C    16.3100  -19.8100
            32  O1a O    13.8600  -19.8100
            33  C1a C    15.6100  -21.0000
            34  C1a C    16.6600  -21.1400
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14   11  15 1
            15   12  16 1
            16   15  17 1
            17   17  18 1
            18   17  19 1 #Up
            19   17  20 1 #Down
            20   18  21 1
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   23  25 1
            25    8  14 1
            26   10  11 1
            27   15  16 1
            28   10  26 1 #Up
            29   14  27 1 #Down
            30    3  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34    8  31 1
            35   30  32 1 #Up
            36   31  33 1
            37   31  34 1

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