KEGG   COMPOUND: C09959Help
Entry
C09959                      Compound                               

Name
Paeoniflorin
Formula
C23H28O11
Exact mass
480.1632
Mol weight
480.4618
Structure
Mol fileKCF fileDB search
Brite
Major components of natural products [BR:br08323]
 Crude drugs
  Peony root
   C09959  Paeoniflorin
BRITE hierarchy
Other DBs
CAS: 23180-57-6
PubChem: 12145
ChEBI: 7889
KNApSAcK: C00003011
3DMET: B03413
NIKKAJI: J39.219G
LinkDB All DBs
KCF data Show

ATOM        34
            1   O7a O    30.2377  -18.1426
            2   C7a C    29.0641  -18.8042
            3   C8y C    29.0543  -20.1536
            4   O6a O    27.9074  -18.1306
            5   C8x C    30.2209  -20.8221
            6   C8x C    27.8899  -20.8231
            7   C8x C    30.2161  -22.1675
            8   C8x C    27.8260  -22.1614
            9   C8x C    29.0555  -22.8368
            10  C1b C    30.2463  -16.7633
            11  C1z C    29.1122  -15.3229
            12  C1z C    27.8514  -15.8016
            13  C1y C    30.4022  -15.6845
            14  C1y C    29.1177  -13.8401
            15  C1z C    27.0109  -14.7445
            16  C1x C    29.0565  -16.3450
            17  O2a O    26.6459  -16.4688
            18  C1z C    31.1563  -14.5642
            19  O2x O    27.7519  -13.4843
            20  O2x O    30.3156  -13.3671
            21  C1x C    28.4000  -14.2043
            22  C1a C    25.6372  -14.7418
            23  C1y C    25.4728  -17.1303
            24  O1a O    32.5391  -14.5872
            25  O2x O    24.3069  -16.4418
            26  C1y C    25.4508  -18.4757
            27  C1y C    23.1339  -17.1035
            28  C1y C    24.2826  -19.1401
            29  O1a O    26.6085  -19.1661
            30  C1y C    23.1198  -18.4465
            31  C1b C    21.9761  -16.4200
            32  O1a O    24.2636  -20.4804
            33  O1a O    21.9498  -19.1033
            34  O1a O    20.7752  -17.0901
BOND        39
            1     3   6 2
            2     5   7 2
            3     6   8 1
            4     7   9 1
            5     8   9 2
            6     1  10 1
            7     1   2 1
            8     2   3 1
            9     2   4 2
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  10 1 #Up
            14   12  15 1
            15   12  16 1
            16   12  17 1 #Up
            17   13  18 1
            18   14  19 1
            19   14  20 1
            20   15  21 1 #Down
            21   15  22 1
            22   23  17 1 #Up
            23   18  24 1
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 1 #Down
            29   27  30 1
            30   27  31 1 #Up
            31   28  32 1 #Up
            32   30  33 1 #Down
            33   13  16 1
            34   15  19 1
            35   18  20 1
            36   18  21 1 #Down
            37   28  30 1
            38    3   5 1
            39   31  34 1

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