KEGG   COMPOUND: C08852Help
Entry
C08852                      Compound                               

Name
Bryophyllin A
Formula
C26H32O8
Exact mass
472.2097
Mol weight
472.5275
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Bufanolide
    C08852  Bryophyllin A
BRITE hierarchy
Other DBs
CAS: 
105608-32-0
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1z C    25.1245  -20.7613
            2   C1z C    25.1304  -19.4190
            3   O2x O    24.6901  -22.0331
            4   C1x C    23.9689  -21.4388
            5   C1x C    26.2859  -21.4445
            6   C1y C    26.3033  -18.7486
            7   C1y C    23.9689  -18.7427
            8   C4a C    25.1187  -18.0652
            9   C1z C    23.4640  -22.6460
            10  C1y C    22.7956  -20.7613
            11  C1x C    27.4648  -20.7730
            12  C1y C    27.4648  -19.4307
            13  C1y C    26.3092  -17.4063
            14  O2x O    23.4640  -19.9556
            15  C1x C    22.7956  -19.4190
            16  O4a O    23.9514  -17.3946
            17  O2x O    22.3672  -21.8978
            18  C1a C    23.4583  -23.9996
            19  C1z C    28.6191  -18.7603
            20  C1x C    27.4882  -16.7407
            21  O1a O    25.1421  -16.4490
            22  C1z C    28.6367  -17.4239
            23  C1x C    30.9478  -18.7894
            24  O1a O    28.6075  -20.1083
            25  C1y C    29.8040  -16.7697
            26  C1a C    28.6250  -16.0818
            27  C1x C    30.9595  -17.4530
            28  C8y C    29.8157  -15.4100
            29  C8x C    30.9886  -14.7337
            30  C8x C    28.6484  -14.7454
            31  C8x C    30.9828  -13.3857
            32  O7x O    28.6425  -13.4033
            33  C8y C    29.8040  -12.7200
            34  O6a O    29.7981  -11.3936
BOND        40
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1 #Up
            14    7  15 1
            15    8  16 2
            16    9  17 1
            17    9  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 1 #Down
            21   19  22 1
            22   19  23 1
            23   19  24 1 #Up
            24   22  25 1
            25   22  26 1 #Up
            26   23  27 1
            27   25  28 1
            28   28  29 1
            29   28  30 2
            30   29  31 2
            31   30  32 1
            32   31  33 1
            33   33  34 2
            34    9  14 1
            35   10  15 1
            36   10  17 1 #Up
            37   11  12 1
            38   20  22 1
            39   25  27 1
            40   32  33 1

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