KEGG   COMPOUND: C08859Help
Entry
C08859                      Compound                               

Name
Cymarin;
Strophanthidin 3-O-beta-D-cymaroside
Formula
C30H44O9
Exact mass
548.2985
Mol weight
548.665
Structure
Mol fileKCF fileDB search
Remark
ATC code: C01AC03
Drug group: DG01743
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  23-Carbon atoms
   Cardanolide derivatives
    C08859  Cymarin
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0112 Cardanolides and derivatives
    C08859  Cymarin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cardanolide
    C08859  Cymarin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AC Strophantus glycosides
     C01AC03 Cymarin
      C08859  Cymarin
BRITE hierarchy
Other DBs
CAS: 508-77-0
PubChem: 11052
ChEBI: 4037
ChEMBL: CHEMBL1075788
KNApSAcK: C00003613
3DMET: B02468
NIKKAJI: J6.241C
KCF data Show

ATOM        39
            1   C1y C    22.1534  -20.1777
            2   C1x C    22.1431  -21.5554
            3   O2x O    20.9640  -19.4762
            4   C1y C    20.9456  -22.2391
            5   C1y C    19.7614  -20.1571
            6   C1y C    19.7560  -21.5375
            7   O2a O    20.9275  -23.6187
            8   C1a C    18.5769  -19.4584
            9   O1a O    18.5536  -22.2183
            10  C1a C    19.7168  -24.3017
            11  C1z C    26.9464  -17.4201
            12  C1y C    28.1525  -16.7325
            13  C1z C    26.9406  -18.8009
            14  C1x C    25.7578  -16.7266
            15  C4a C    26.9347  -16.0392
            16  C1y C    29.3353  -17.4317
            17  C1x C    28.1642  -15.3574
            18  C1x C    25.7578  -19.4885
            19  C1x C    28.1409  -19.4944
            20  O1a O    26.9290  -20.1703
            21  C1x C    24.5633  -17.4201
            22  O4a O    25.7403  -15.3517
            23  C1z C    30.5241  -16.7499
            24  C1x C    29.3353  -18.8069
            25  C1x C    29.3587  -14.6815
            26  C1y C    24.5633  -18.8009
            27  C1z C    30.5415  -15.3748
            28  C1x C    32.9071  -16.7092
            29  O1a O    30.5124  -18.1250
            30  O2a O    23.3689  -19.4885
            31  C1y C    31.7419  -14.7048
            32  C1a C    30.5298  -13.9999
            33  C1x C    32.9188  -15.4098
            34  C2y C    31.7360  -13.3240
            35  C1x C    31.3107  -12.0187
            36  C2x C    33.1111  -13.3181
            37  O7x O    32.4235  -11.2088
            38  C7x C    33.5306  -12.0129
            39  O6a O    34.8415  -11.5817
BOND        44
            1     5   6 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1 #Up
            9     6   9 1 #Down
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   15  22 2
            21   16  23 1
            22   16  24 1
            23   17  25 1
            24   18  26 1
            25   23  27 1
            26   23  28 1
            27   23  29 1 #Up
            28   26  30 1 #Up
            29   27  31 1
            30   27  32 1 #Up
            31   28  33 1
            32   31  34 1
            33   34  35 1
            34   34  36 2
            35   35  37 1
            36   36  38 1
            37   38  39 2
            38   19  24 1
            39   21  26 1
            40   25  27 1
            41   31  33 1
            42   37  38 1
            43    7  10 1
            44    1  30 1 #Up

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