KEGG   COMPOUND: C11640
Entry
C11640                      Compound                               
Name
Patrinoside
Formula
C21H34O11
Exact mass
462.2101
Mol weight
462.4881
Structure
Brite
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C11640  Patrinoside
Other DBs
CAS: 53962-20-2
PubChem: 13805
ChEBI: 7941
KNApSAcK: C00010645
NIKKAJI: J10.825A
KCF data

ATOM        32
            1   O2a O    28.5718  -16.0454
            2   C1y C    29.8794  -16.6796
            3   O2x O    29.9159  -18.0923
            4   C1y C    31.1867  -15.9934
            5   C1y C    31.1320  -18.8092
            6   C1y C    32.3133  -16.7265
            7   O1a O    31.2013  -14.5716
            8   C1y C    32.3620  -18.1296
            9   C1b C    31.2475  -20.2923
            10  O1a O    33.6207  -16.0341
            11  O1a O    33.5750  -18.8563
            12  O1a O    32.3512  -20.9365
            13  O7a O    27.3547  -22.3738
            14  C1y C    26.1456  -20.2574
            15  C1y C    26.1456  -18.8516
            16  C1y C    27.3581  -20.9699
            17  C1y C    24.8084  -20.6829
            18  C2y C    27.3581  -18.1519
            19  C1x C    24.8084  -18.4261
            20  O2x O    28.5777  -20.2634
            21  C1y C    23.9924  -19.5522
            22  C1b C    23.5890  -21.3954
            23  C2x C    28.5777  -18.8516
            24  C1b C    27.3581  -16.7403
            25  O1a O    22.3766  -20.6829
            26  O1a O    22.5768  -19.5509
            27  C7a C    28.5760  -23.0791
            28  C1b C    29.8042  -22.3665
            29  O6a O    28.5775  -24.4948
            30  C1c C    31.0267  -23.0764
            31  C1a C    32.2547  -22.3638
            32  C1a C    31.0282  -24.4921
BOND        34
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 1 #Down
            6    14  15 1
            7    14  16 1
            8    14  17 1
            9    15  18 1
            10   15  19 1
            11   16  20 1
            12   17  21 1
            13   17  22 1 #Up
            14   18  23 2
            15   18  24 1
            16   22  25 1
            17   24   1 1
            18   19  21 1
            19   20  23 1
            20   16  13 1 #Up
            21    5   8 1
            22   21  26 1 #Up
            23    5   9 1 #Up
            24   13  27 1
            25    6  10 1 #Up
            26   27  28 1
            27    8  11 1 #Down
            28   27  29 2
            29    6   8 1
            30   28  30 1
            31    9  12 1
            32   30  31 1
            33    2   1 1 #Up
            34   30  32 1

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