KEGG   COMPOUND: C08711
Entry
C08711                      Compound                               
Name
Spiredine
Formula
C22H27NO3
Exact mass
353.1991
Mol weight
353.4547
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08711  Spiredine
Other DBs
CAS: 60062-45-5
PubChem: 10904
ChEBI: 9238
KNApSAcK: C00001667
3DMET: B05285
NIKKAJI: J2.766.742B
LinkDB
KCF data

ATOM        26
            1   C1z C    26.3434  -17.5408
            2   C1y C    26.3317  -16.3394
            3   C1y C    27.5157  -16.8759
            4   C1y C    26.3375  -18.8823
            5   C1x C    25.1828  -16.8702
            6   C1y C    28.1865  -16.3161
            7   N1y N    24.6637  -18.3282
            8   C1z C    28.6588  -17.5525
            9   C5x C    27.5157  -15.5345
            10  C1z C    25.1828  -19.5531
            11  C5x C    27.5041  -19.5589
            12  C1x C    24.0221  -17.5408
            13  C1x C    29.1312  -15.8902
            14  C1y C    24.6637  -20.5796
            15  C1x C    23.3163  -18.3282
            16  C1x C    28.6588  -18.8940
            17  C1x C    29.8253  -16.8935
            18  C1y C    28.6764  -14.8813
            19  O5x O    26.3551  -14.8696
            20  C1x C    24.0221  -18.8823
            21  C1a C    25.9411  -21.4079
            22  O5x O    27.4865  -20.8946
            23  O2x O    23.3163  -20.5737
            24  C1x C    22.6397  -19.4888
            25  C2y C    29.8370  -15.5521
            26  C2a C    30.7818  -14.6013
BOND        32
            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 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    9  18 1
            18    9  19 2
            19   10  20 1 #Up
            20   10  21 1 #Up
            21   11  22 2
            22   14  23 1
            23   15  24 1
            24   17  25 1
            25   25  26 2
            26    8   6 1 #Down
            27   10  14 1
            28   11  16 1
            29   12  20 1
            30   18  13 1 #Down
            31   18  25 1
            32   23  24 1

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