KEGG   COMPOUND: C20715
Entry
C20715                      Compound                               

Name
Protopanaxadiol;
Dammar-24-ene-3beta,12beta,20-triol;
(20S)-Protopanaxadiol
Formula
C30H52O3
Exact mass
460.3916
Mol weight
460.7321
Structure
Reaction
Enzyme
1.14.14.120     1.14.14.121     2.4.1.363       2.4.1.364
Other DBs
CAS: 30636-90-9
PubChem: 254741184
ChEMBL: CHEMBL375563
KCF data

ATOM        33
            1   C1y C    16.2920  -16.4351
            2   C1z C    17.4911  -17.1404
            3   C1z C    15.0225  -17.1404
            4   C1x C    16.2920  -15.0950
            5   C1z C    18.6901  -16.4351
            6   C1x C    17.4911  -18.4804
            7   C1a C    18.7605  -18.5510
            8   C1y C    15.0225  -18.4804
            9   C1x C    13.8941  -16.4351
            10  C1a C    15.0220  -15.7298
            11  C1y C    17.4911  -14.3897
            12  C1y C    18.6901  -15.0950
            13  C1x C    21.0880  -16.4351
            14  C1a C    19.6774  -17.6340
            15  C1x C    16.2920  -19.1857
            16  C1z C    13.8941  -19.1857
            17  C1x C    12.7656  -17.1404
            18  C1y C    19.8890  -14.4603
            19  C1x C    21.0175  -15.0950
            20  C1y C    12.7656  -18.4804
            21  C1d C    19.8891  -13.0497
            22  O1a O    11.5667  -19.1857
            23  C1b C    21.0175  -12.4149
            24  O1a O    18.6901  -12.4149
            25  C1a C    19.8891  -11.7096
            26  C1b C    22.2165  -13.0497
            27  C2b C    23.4154  -12.3444
            28  C2c C    24.5439  -13.0497
            29  C1a C    25.7429  -12.3444
            30  C1a C    24.5439  -14.3897
            31  O1a O    17.4911  -13.3318
            32  C1a C    12.8963  -20.1836
            33  C1a C    14.2593  -20.6900
BOND        36
            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
            9     3  10 1 #Up
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15    8  16 1
            16    9  17 1
            17   12  18 1
            18   13  19 1
            19   16  20 1
            20   18  21 1
            21   20  22 1 #Up
            22   21  23 1
            23   21  24 1 #Up
            24   21  25 1 #Down
            25   23  26 1
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   28  30 1
            30    8  15 1
            31   11  12 1
            32   17  20 1
            33   18  19 1
            34   11  31 1 #Up
            35   16  32 1
            36   16  33 1

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