KEGG   COMPOUND: C08952
Entry
C08952                      Compound                               
Name
Gypsogenin 3-O-rhamnosylglucuronide
Formula
C42H64O14
Exact mass
792.4296
Mol weight
792.9492
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010615 Oleanane triterpenoids
     C08952  Gypsogenin 3-O-rhamnosylglucuronide
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08952  Gypsogenin 3-O-rhamnosylglucuronide
Other DBs
CAS: 110064-53-4
PubChem: 11144
ChEBI: 46707
LIPIDMAPS: LMPR0106150006
KNApSAcK: C00003526
3DMET: B02554
NIKKAJI: J2.767.482H
LinkDB
KCF data

ATOM        56
            1   C1y C    17.3335  -23.5995
            2   C1y C    18.5539  -24.3066
            3   O2x O    16.1224  -24.3015
            4   C1y C    18.5503  -25.7162
            5   O1a O    19.7679  -23.6097
            6   C1y C    16.1209  -25.7031
            7   C1y C    17.3393  -26.4182
            8   O1a O    19.7643  -26.4119
            9   C1a C    14.9019  -26.4030
            10  O1a O    17.3256  -27.7985
            11  C1y C    18.5214  -18.6936
            12  C1y C    18.5319  -20.1012
            13  O2x O    17.2943  -18.0082
            14  C1y C    17.3261  -20.8158
            15  O1a O    19.7531  -20.7967
            16  C1y C    16.0937  -18.7257
            17  O2a O    17.3431  -22.2121
            18  C1y C    16.1020  -20.1253
            19  C6a C    14.8694  -18.0352
            20  O1a O    14.8983  -20.8480
            21  O6a O    14.8283  -16.6317
            22  O6a O    13.6607  -18.7550
            23  C1z C    25.8096  -15.9054
            24  C1z C    27.0273  -15.2172
            25  C1y C    24.6034  -15.1997
            26  C1x C    25.8096  -17.3052
            27  C1a C    26.4279  -14.4999
            28  C2y C    27.0449  -13.8232
            29  C1x C    28.2206  -15.9228
            30  C1a C    27.0029  -16.6111
            31  C1z C    23.3798  -15.8937
            32  C1x C    24.5451  -13.7999
            33  C1x C    24.5917  -18.0050
            34  C1y C    28.2499  -13.1351
            35  C2x C    25.8329  -13.1117
            36  C1x C    29.4442  -15.2463
            37  C1y C    23.3741  -17.2992
            38  C1x C    22.1750  -15.1997
            39  C1a C    23.3681  -14.4941
            40  C1z C    29.4559  -13.8523
            41  C1x C    28.2801  -11.7353
            42  C1z C    22.1750  -17.9990
            43  C1x C    20.9571  -15.8937
            44  C1x C    30.6737  -13.1584
            45  C6a C    30.6680  -14.5465
            46  C1z C    29.4909  -11.0588
            47  C1y C    20.9571  -17.2992
            48  C4a C    22.7372  -19.3510
            49  C1a C    21.4576  -19.2100
            50  C1x C    30.6912  -11.7644
            51  O6a O    31.8728  -13.8406
            52  O6a O    30.6621  -15.9461
            53  C1a C    28.7852   -9.8352
            54  C1a C    30.0602   -9.8341
            55  O2a O    19.7335  -18.0050
            56  O4a O    23.7733  -19.8534
BOND        62
            1    12  15 1 #Down
            2    13  16 1
            3    14  17 1 #Up
            4    14  18 1
            5    16  19 1 #Up
            6    18  20 1 #Down
            7    19  21 1
            8    19  22 2
            9    16  18 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1 #Down
            14    3   6 1
            15    4   7 1
            16    4   8 1 #Down
            17    6   9 1 #Down
            18    7  10 1 #Up
            19    6   7 1
            20   11  12 1
            21   11  13 1
            22   12  14 1
            23   23  24 1
            24   23  25 1
            25   23  26 1
            26   23  27 1 #Up
            27   24  28 1
            28   24  29 1
            29   24  30 1 #Down
            30   25  31 1
            31   25  32 1
            32   26  33 1
            33   28  34 1
            34   28  35 2
            35   29  36 1
            36   31  37 1
            37   31  38 1
            38   31  39 1 #Up
            39   34  40 1
            40   34  41 1
            41   37  42 1
            42   38  43 1
            43   40  44 1
            44   40  45 1 #Up
            45   41  46 1
            46   42  47 1
            47   42  48 1 #Down
            48   42  49 1 #Up
            49   44  50 1
            50   45  51 1
            51   45  52 2
            52   46  53 1
            53   46  54 1
            54   47  55 1 #Up
            55   32  35 1
            56   33  37 1
            57   36  40 1
            58   43  47 1
            59   46  50 1
            60   11  55 1 #Up
            61    1  17 1 #Up
            62   48  56 2

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