KEGG   COMPOUND: C10828Help
Entry
C10828                      Compound                               

Name
Veracevine;
Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-
Formula
C27H43NO8
Exact mass
509.2989
Mol weight
509.6322
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10828  Veracevine
BRITE hierarchy
Other DBs
CAS: 5876-23-3
PubChem: 13011
ChEBI: 9947
ChEMBL: CHEMBL2023796
KNApSAcK: C00002269
3DMET: B04162
NIKKAJI: J17.866G
LinkDB All DBs
KCF data Show

ATOM        36
            1   C1y C    26.7695  -20.0161
            2   C1z C    26.0201  -18.9852
            3   C1z C    24.7552  -19.1126
            4   C1x C    26.7693  -17.9461
            5   O2x O    23.4756  -23.2371
            6   C1z C    27.9886  -19.6177
            7   C1x C    26.2525  -21.1794
            8   C1y C    24.2267  -20.2850
            9   C1x C    23.9941  -18.0792
            10  C1z C    27.9886  -18.3459
            11  C1z C    22.9666  -20.4125
            12  C1x C    29.0979  -20.2559
            13  O1a O    27.8977  -21.1850
            14  C1x C    24.9750  -21.3184
            15  C1x C    22.7221  -18.2241
            16  C1y C    29.0979  -17.6958
            17  O1a O    28.0320  -16.9750
            18  C1y C    22.2113  -19.3791
            19  C1y C    30.1956  -19.6177
            20  C1z C    30.1956  -18.3459
            21  C1x C    29.0979  -16.4355
            22  O1a O    31.1576  -20.5068
            23  C1z C    31.2980  -17.6958
            24  O1a O    31.3214  -19.3394
            25  N1y N    30.1956  -15.7975
            26  C1y C    31.2980  -16.4355
            27  O1a O    32.6446  -18.4159
            28  C1x C    30.1956  -14.5079
            29  C1x C    32.4191  -15.7975
            30  C1y C    31.2980  -13.8872
            31  C1x C    32.4191  -14.5079
            32  C1a C    31.2951  -12.6145
            33  C1a C    32.5881  -16.9728
            34  C1a C    25.3029  -17.9925
            35  O1a O    22.3880  -21.6591
            36  O1a O    20.7569  -19.9661
BOND        42
            1     3   8 1
            2     3   9 1
            3     4  10 1
            4    11   5 1 #Down
            5     6  12 1
            6     6  13 1 #Down
            7     7  14 1
            8     9  15 1
            9    10  16 1
            10   10  17 1 #Down
            11   11  18 1
            12   12  19 1
            13   16  20 1
            14   16  21 1
            15   19  22 1 #Up
            16   20  23 1
            17   20  24 1 #Down
            18   21  25 1
            19   23  26 1
            20   23  27 1 #Up
            21   25  28 1
            22   26  29 1
            23   28  30 1
            24   29  31 1
            25    6  10 1
            26    8  11 1
            27    8  14 1
            28   15  18 1
            29   19  20 1
            30   25  26 1
            31   30  31 1
            32   30  32 1 #Up
            33   23  33 1 #Down
            34    2   1 1
            35    2   3 1
            36    2   4 1
            37    3  34 1 #Up
            38    2   5 1 #Down
            39    1   6 1
            40   11  35 1 #Up
            41    1   7 1
            42   18  36 1 #Up

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