KEGG   COMPOUND: C08685
Entry
C08685                      Compound                               
Name
Garryine
Formula
C22H33NO2
Exact mass
343.2511
Mol weight
343.5029
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08685  Garryine
Other DBs
CAS: 561-51-3
PubChem: 10878
ChEBI: 5278
KNApSAcK: C00001641
3DMET: B05275
NIKKAJI: J37.142D
LinkDB
KCF data

ATOM        25
            1   C1z C    25.7183  -17.3476
            2   C1y C    26.8284  -16.7167
            3   C1y C    25.7183  -18.6214
            4   C1x C    25.7067  -16.0624
            5   C1x C    24.6316  -16.7109
            6   C1z C    27.9268  -17.3359
            7   C1x C    26.8167  -15.4431
            8   C1z C    24.6316  -19.2815
            9   C1x C    26.8284  -19.2581
            10  N1y N    24.0532  -18.0604
            11  C1x C    23.5449  -17.3476
            12  C1x C    29.0193  -16.6992
            13  C1x C    27.9326  -18.6214
            14  C1y C    29.0133  -17.9728
            15  C1x C    27.9092  -14.7945
            16  C1y C    24.0532  -20.6485
            17  C1x C    23.5449  -18.6214
            18  C1a C    25.2971  -20.9051
            19  C1x C    22.7913  -18.0604
            20  C1y C    29.0193  -15.4314
            21  C2y C    30.1000  -16.0507
            22  O1a O    29.3756  -19.3106
            23  O2x O    22.7913  -20.6485
            24  C1x C    22.1721  -19.5619
            25  C2a C    31.1808  -15.4197
BOND        30
            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     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    8  18 1 #Up
            18   10  19 1
            19   20  12 1 #Down
            20   14  21 1
            21   14  22 1 #Down
            22   16  23 1
            23   19  24 1
            24   21  25 2
            25    9  13 1
            26   10  16 1
            27   11  17 1
            28   15  20 1
            29   20  21 1
            30   23  24 1

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