KEGG   COMPOUND: C08835Help
Entry
C08835                      Compound                               

Name
Ponasterone A
Formula
C27H44O6
Exact mass
464.3138
Mol weight
464.6347
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cholestane
    C08835  Ponasterone A
BRITE hierarchy
Other DBs
CAS: 13408-56-5
PubChem: 11028
ChEBI: 28135
ChEMBL: CHEMBL1881624 CHEMBL549789
LIPIDMAPS: LMST01010195
KNApSAcK: C00003667
PDB-CCD: P1A[PDBj]
3DMET: B02445
NIKKAJI: J15.367B
KCF data Show

ATOM        33
            1   C2y C    21.5695  -20.0962
            2   C1z C    22.7549  -19.4188
            3   C1y C    20.3840  -19.4071
            4   C2x C    21.5695  -21.4684
            5   C1z C    22.7724  -18.0523
            6   C1x C    25.1258  -19.3779
            7   O1a O    22.7432  -20.7910
            8   C1z C    19.1926  -20.0845
            9   C1x C    20.3956  -18.0349
            10  C5x C    20.3723  -22.1575
            11  C1y C    23.9695  -17.3807
            12  C1x C    21.5929  -17.3516
            13  C1a C    22.7607  -16.6741
            14  C1x C    25.1432  -18.0814
            15  C1y C    19.1869  -21.4627
            16  C1x C    18.0072  -19.4012
            17  C1a C    19.1752  -18.7064
            18  O5x O    20.3663  -23.5299
            19  C1d C    23.9054  -16.0026
            20  C1x C    18.0072  -22.1517
            21  C1y C    16.8043  -20.0845
            22  C1c C    25.1608  -15.3251
            23  C1a C    22.7840  -15.3136
            24  O1a O    23.9695  -14.6303
            25  C1y C    16.8043  -21.4627
            26  O1a O    15.6189  -19.4012
            27  C1b C    26.3520  -16.0142
            28  O1a O    25.1549  -13.9529
            29  O1a O    15.6189  -22.1517
            30  C1b C    27.5374  -15.3368
            31  C1c C    28.7229  -16.0202
            32  C1a C    28.7229  -17.3866
            33  C1a C    29.9201  -15.3368
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17   10  18 2
            18   11  19 1
            19   15  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   19  24 1 #Up
            24   20  25 1
            25   21  26 1 #Up
            26   22  27 1
            27   22  28 1 #Down
            28   25  29 1 #Up
            29   27  30 1
            30   30  31 1
            31   31  32 1
            32   31  33 1
            33    9  12 1
            34   10  15 1
            35   11  14 1
            36   21  25 1

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