KEGG   COMPOUND: C10573
Entry
C10573                      Compound                               
Name
Calycanthine
Formula
C22H26N4
Exact mass
346.2157
Mol weight
346.4686
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Others
    C10573  Calycanthine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Others
    C10573  Calycanthine
Other DBs
CAS: 595-05-1
PubChem: 12756
ChEBI: 3333
KNApSAcK: C00002318
3DMET: B03968
NIKKAJI: J17.151D
LinkDB
KCF data

ATOM        26
            1   C1z C    27.4570  -19.2148
            2   C1z C    28.5487  -19.8452
            3   C8y C    26.3478  -19.8452
            4   C1y C    27.4570  -17.9362
            5   C1x C    27.4454  -20.4874
            6   C8y C    29.6580  -19.2148
            7   C1y C    28.5487  -21.1296
            8   C1x C    28.5487  -18.5726
            9   C8y C    26.3420  -21.1179
            10  C8x C    25.2503  -19.2088
            11  N1x N    28.5546  -17.2999
            12  N1y N    26.3478  -17.2999
            13  C1x C    30.7439  -21.1238
            14  C8y C    29.6522  -17.9362
            15  C8x C    30.7556  -19.8512
            16  N1x N    27.4454  -21.7601
            17  N1y N    29.6463  -21.7601
            18  C1x C    25.2444  -17.9245
            19  C8x C    25.2503  -21.7543
            20  C8x C    24.1410  -19.8452
            21  C1a C    26.3420  -16.0213
            22  C8x C    30.7614  -17.3057
            23  C8x C    31.8649  -19.2205
            24  C1a C    29.6406  -23.0387
            25  C8x C    24.1410  -21.1179
            26  C8x C    31.8649  -17.9479
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 2
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 2
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    9  19 2
            19   10  20 1
            20   12  21 1
            21   14  22 2
            22   15  23 1
            23   17  24 1
            24   19  25 1
            25   22  26 1
            26    9  16 1
            27   11  14 1
            28   12  18 1
            29   13  17 1
            30   20  25 2
            31   23  26 2

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