KEGG   COMPOUND: C08964
Entry
C08964                      Compound                               
Name
Oleanoic acid 3-O-glucuronide;
Silphioside F
Formula
C36H56O9
Exact mass
632.3924
Mol weight
632.8244
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010615 Oleanane triterpenoids
     C08964  Oleanoic acid 3-O-glucuronide
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C08964  Oleanoic acid 3-O-glucuronide
Other DBs
CAS: 26020-14-4
PubChem: 11156
ChEBI: 37658
LIPIDMAPS: LMPR0106150003
KNApSAcK: C00003538
3DMET: B02566
NIKKAJI: J70.011H
LinkDB
KCF data

ATOM        45
            1   C1y C    18.5627  -21.3508
            2   O2x O    17.2595  -20.6875
            3   C1y C    18.5338  -22.7544
            4   C1y C    16.1321  -21.4249
            5   C1y C    17.3415  -23.4944
            6   O1a O    19.7699  -23.4125
            7   C1y C    16.1083  -22.8312
            8   C6a C    14.8287  -20.7616
            9   O1a O    17.3855  -24.8928
            10  O1a O    14.9110  -23.5685
            11  O6a O    14.8576  -19.3581
            12  O6a O    13.6364  -21.5017
            13  C1z C    25.7790  -18.5765
            14  C1z C    26.9928  -17.8763
            15  C1y C    24.5712  -17.8646
            16  C1x C    25.7790  -19.9768
            17  C1a C    26.3974  -17.2402
            18  C2y C    27.0102  -16.4817
            19  C1x C    28.1890  -18.5940
            20  C1a C    26.9811  -19.2766
            21  C1z C    23.3576  -18.5649
            22  C1x C    24.5829  -16.4642
            23  C1x C    24.5595  -20.6712
            24  C1y C    28.2240  -15.8048
            25  C2x C    25.8024  -15.7757
            26  C1x C    29.4026  -17.9054
            27  C1y C    23.3459  -19.9651
            28  C1x C    22.1440  -17.8587
            29  C1a C    23.3402  -17.1585
            30  C1z C    29.4202  -16.5167
            31  C1x C    28.1774  -14.4103
            32  C1z C    22.1440  -20.6653
            33  C1x C    20.9245  -18.5649
            34  C1x C    30.6395  -15.8398
            35  C6a C    30.6280  -17.2169
            36  C1z C    29.4610  -13.7275
            37  C1y C    20.9245  -19.9651
            38  C1a C    21.4321  -22.0191
            39  C1a C    22.7741  -22.1590
            40  C1x C    30.6571  -14.4453
            41  O6a O    31.8357  -16.5050
            42  O6a O    30.6864  -18.6173
            43  C1a C    30.1552  -12.3680
            44  C1a C    28.7491  -12.5080
            45  O2a O    19.7107  -20.6653
BOND        50
            1     8  11 1
            2     8  12 2
            3     5   7 1
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     3   5 1
            8     3   6 1 #Down
            9     4   7 1
            10    4   8 1 #Up
            11    5   9 1 #Up
            12    7  10 1 #Down
            13   13  14 1
            14   13  15 1
            15   13  16 1
            16   13  17 1 #Up
            17   14  18 1
            18   14  19 1
            19   14  20 1 #Down
            20   15  21 1
            21   15  22 1
            22   16  23 1
            23   18  24 1
            24   18  25 2
            25   19  26 1
            26   21  27 1
            27   21  28 1
            28   21  29 1 #Up
            29   24  30 1
            30   24  31 1
            31   27  32 1
            32   28  33 1
            33   30  34 1
            34   30  35 1 #Up
            35   31  36 1
            36   32  37 1
            37   32  38 1
            38   32  39 1
            39   34  40 1
            40   35  41 1
            41   35  42 2
            42   36  43 1
            43   36  44 1
            44   37  45 1 #Up
            45   22  25 1
            46   23  27 1
            47   26  30 1
            48   33  37 1
            49   36  40 1
            50    1  45 1 #Up

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