KEGG   COMPOUND: C10136Help
Entry
C10136                      Compound                               

Name
Cassine
Formula
C18H35NO2
Exact mass
297.2668
Mol weight
297.476
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from lysine
   Piperidine alkaloids
    C10136  Cassine
BRITE hierarchy
Other DBs
CAS: 
5227-24-7
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    21.2693  -17.7200
            2   N1x N    20.0628  -17.0148
            3   C1x C    21.2693  -19.1246
            4   C1b C    22.4758  -17.0148
            5   C1y C    18.8446  -17.7200
            6   C1x C    20.0628  -19.8183
            7   C1b C    23.6880  -17.7200
            8   C1y C    18.8446  -19.1246
            9   C1a C    17.6264  -17.0263
            10  C1b C    24.9003  -17.0263
            11  O1a O    17.6264  -19.8183
            12  C1b C    26.1127  -17.7257
            13  C1b C    27.3133  -17.0322
            14  C1b C    28.5257  -17.7374
            15  C1b C    29.7380  -17.0379
            16  C1b C    30.9502  -17.7433
            17  C1b C    32.1627  -17.0439
            18  C1b C    33.3749  -17.7490
            19  C5a C    34.5814  -17.0439
            20  C1a C    35.7939  -17.7490
            21  O5a O    34.5757  -15.6450
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Up
            9     7  10 1
            10    8  11 1 #Up
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21    6   8 1

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