KEGG   COMPOUND: C08858Help
Entry
C08858                      Compound                               

Name
Convallatoxin;
Strophanthidin 3-O-alpha-L-rhamnoside
Formula
C29H42O10
Exact mass
550.2778
Mol weight
550.6378
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0112 Cardanolides and derivatives
    C08858  Convallatoxin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cardanolide
    C08858  Convallatoxin
Natural toxins [BR:br08009]
 Phytotoxins
  Glycosides
   Cardiac glycosides
    C08858  Convallatoxin
BRITE hierarchy
Other DBs
CAS: 508-75-8
PubChem: 11051
ChEBI: 27663
ChEMBL: CHEMBL399336
LIPIDMAPS: LMST01120013
KNApSAcK: C00003612
3DMET: B02467
NIKKAJI: J6.240E
LinkDB All DBs
KCF data Show

ATOM        39
            1   C1y C    22.0648  -20.3459
            2   C1y C    22.0425  -21.7275
            3   O2x O    20.8764  -19.6427
            4   C1y C    20.8478  -22.4017
            5   O1a O    23.2361  -22.4336
            6   C1y C    19.6766  -20.3136
            7   C1y C    19.6564  -21.7032
            8   O1a O    20.8255  -23.7832
            9   C1a C    18.4931  -19.6133
            10  O1a O    18.4565  -22.3745
            11  C1z C    26.9964  -17.9232
            12  C1y C    28.2022  -17.2358
            13  C1z C    26.9904  -19.3039
            14  C1x C    25.8078  -17.2299
            15  C4a C    26.9847  -16.5424
            16  C1y C    29.3848  -17.9349
            17  C1x C    28.2138  -15.8608
            18  C1x C    25.8078  -19.9914
            19  C1x C    28.1907  -19.9971
            20  O1a O    26.9788  -20.6729
            21  C1x C    24.6134  -17.9232
            22  O4a O    25.7904  -15.8549
            23  C1z C    30.5734  -17.2532
            24  C1x C    29.3848  -19.3098
            25  C1x C    29.4082  -15.1850
            26  C1y C    24.6134  -19.3039
            27  C1z C    30.5908  -15.8841
            28  C1x C    32.9562  -17.2122
            29  O1a O    30.5618  -18.6281
            30  O2a O    23.4191  -19.9914
            31  C1y C    31.7911  -15.2083
            32  C1a C    30.5851  -14.5033
            33  C1x C    32.9737  -15.9132
            34  C2y C    31.7911  -13.8275
            35  C2x C    33.1601  -13.8275
            36  C1x C    31.3599  -12.5225
            37  C7x C    33.5855  -12.5167
            38  O7x O    32.4726  -11.7127
            39  O6a O    34.8963  -12.0856
BOND        44
            1     6   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     2   5 1 #Down
            6     3   6 1
            7     4   7 1
            8     4   8 1 #Down
            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 2
            34   34  36 1
            35   35  37 1
            36   36  38 1
            37   37  39 2
            38   19  24 1
            39   21  26 1
            40   25  27 1
            41   31  33 1
            42   37  38 1
            43    1  30 1 #Up
            44    7  10 1 #Up

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