KEGG   COMPOUND: C20713
Entry
C20713                      Compound                               
Name
Ginsenoside Rb1
Formula
C54H92O23
Exact mass
1108.6029
Mol weight
1109.2945
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010608 Dammarane triterpenoids
     C20713  Ginsenoside Rb1
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C20713
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C20713
Other DBs
CAS: 41753-43-9
PubChem: 254741182
LIPIDMAPS: LMPR0106080013
LinkDB
KCF data

ATOM        77
            1   C1y C    12.6113  -27.4717
            2   C1y C    13.7938  -28.1505
            3   C1y C    14.9733  -27.4658
            4   C1y C    14.9698  -26.1022
            5   C1y C    13.8221  -25.3902
            6   O2x O    12.6079  -26.1081
            7   C1y C    10.3371  -23.1464
            8   C1y C    11.5175  -23.8292
            9   C1y C    12.6989  -23.1484
            10  C1y C    12.7002  -21.7846
            11  O2x O    11.5199  -21.1019
            12  C1y C    10.3383  -21.7827
            13  C1x C    18.3791  -16.2464
            14  C1y C    18.3791  -17.6102
            15  C1z C    19.5382  -18.2920
            16  C1z C    20.7655  -17.6102
            17  C1y C    20.7655  -16.2464
            18  C1y C    19.5382  -15.5647
            19  C1z C    17.1927  -18.2824
            20  C1y C    17.2516  -19.6459
            21  C1x C    18.3406  -20.3277
            22  C1x C    19.5270  -19.6556
            23  C1x C    16.0174  -17.5909
            24  C1x C    14.8310  -18.2631
            25  C1y C    14.8199  -19.6266
            26  C1z C    15.9952  -20.3181
            27  O1a O    19.5382  -14.2742
            28  C1a C    20.7372  -19.7285
            29  C1a C    17.1927  -16.9186
            30  O2a O    13.4603  -20.2719
            31  C1a C    21.7368  -18.6874
            32  C1a C    16.6153  -21.6716
            33  C1a C    15.4359  -21.6756
            34  C1b C     9.1580  -21.0999
            35  O1a O    11.5163  -25.1927
            36  O1a O     9.1557  -23.8271
            37  O2a O    13.8092  -23.9013
            38  C1b C    11.4197  -28.1050
            39  O1a O    16.1558  -28.1446
            40  O1a O    13.7973  -29.5141
            41  O1a O    16.1674  -25.4071
            42  O1a O     7.9389  -21.8022
            43  O1a O    11.3962  -29.5198
            44  C1x C    23.1903  -17.6102
            45  C1x C    23.1903  -16.2464
            46  C1y C    21.9779  -15.5464
            47  C1y C    24.4958   -4.8304
            48  C1y C    24.4958   -6.2302
            49  O2x O    25.6857   -6.9302
            50  C1y C    26.8756   -6.2302
            51  C1y C    26.8756   -4.8304
            52  C1y C    25.6857   -4.1305
            53  C1y C    19.3862   -9.0300
            54  C1y C    19.3862  -10.4299
            55  C1y C    20.5761  -11.1298
            56  O2x O    21.7659  -10.4299
            57  C1y C    21.7659   -9.0300
            58  C1y C    20.5761   -8.4001
            59  O1a O    20.5761   -7.0002
            60  O1a O    18.1963  -11.1298
            61  O1a O    18.1963   -8.4001
            62  C1b C    22.9559   -8.4001
            63  O2a O    22.9559   -7.0002
            64  O1a O    25.6857   -2.8006
            65  C1b C    28.0654   -6.9302
            66  O1a O    28.0654   -4.1305
            67  O1a O    23.3059   -4.1305
            68  C1b C    23.1499  -13.7921
            69  C1b C    24.3090  -14.4738
            70  C1d C    21.9909  -14.4738
            71  C2b C    25.4681  -13.7921
            72  C2c C    26.6272  -14.4738
            73  C1a C    27.7861  -13.7921
            74  O2a O    20.5622  -12.8320
            75  C1a C    21.9909  -13.1785
            76  C1a C    26.6272  -15.8374
            77  O1a O    29.2707   -6.2407
BOND        84
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   13  18 1
            19   14  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   15  22 1
            24   19  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   20  26 1
            29   18  27 1 #Up
            30   15  28 1 #Up
            31   19  29 1 #Up
            32   25  30 1 #Up
            33   16  31 1 #Down
            34   26  32 1
            35   26  33 1
            36   10  30 1 #Up
            37   12  34 1 #Up
            38    8  35 1 #Up
            39    7  36 1 #Down
            40    9  37 1 #Down
            41    5  37 1 #Up
            42    1  38 1 #Up
            43    3  39 1 #Up
            44    2  40 1 #Down
            45    4  41 1 #Down
            46   34  42 1
            47   38  43 1
            48   16  44 1
            49   44  45 1
            50   45  46 1
            51   17  46 1
            52   47  48 1
            53   48  49 1
            54   49  50 1
            55   50  51 1
            56   51  52 1
            57   47  52 1
            58   53  54 1
            59   54  55 1
            60   55  56 1
            61   56  57 1
            62   57  58 1
            63   53  58 1
            64   58  59 1 #Down
            65   54  60 1 #Down
            66   53  61 1 #Up
            67   57  62 1 #Up
            68   62  63 1
            69   48  63 1 #Up
            70   52  64 1 #Up
            71   50  65 1 #Up
            72   51  66 1 #Down
            73   47  67 1 #Down
            74   68  69 1
            75   68  70 1
            76   69  71 1
            77   71  72 2
            78   72  73 1
            79   70  74 1 #Up
            80   70  75 1 #Down
            81   72  76 1
            82   55  74 1 #Up
            83   65  77 1
            84   46  70 1

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