KEGG   COMPOUND: C09217
Entry
C09217                      Compound                               
Name
Isoajmaline
Formula
C20H26N2O2
Exact mass
326.1994
Mol weight
326.4326
Structure
Other DBs
CAS: 6989-79-3
PubChem: 11408
ChEBI: 5979
KNApSAcK: C00024344
3DMET: B05336
NIKKAJI: J470.529G
LinkDB
KCF data

ATOM        24
            1   C8x C    16.4500  -23.5900
            2   C8x C    16.4500  -24.9900
            3   C8x C    17.6624  -25.6900
            4   C8y C    18.8749  -24.9900
            5   C8y C    18.8749  -23.5900
            6   C8x C    17.6624  -22.8900
            7   N1y N    20.0873  -25.6900
            8   C1y C    21.2997  -24.9900
            9   C1z C    21.2997  -23.5900
            10  C1y C    22.5122  -25.6900
            11  N1y N    23.7246  -24.9900
            12  C1y C    23.7246  -23.5900
            13  C1x C    22.5122  -22.8900
            14  C1x C    22.5122  -27.0900
            15  C1y C    23.7247  -27.7900
            16  C1y C    24.9371  -27.0900
            17  C1y C    24.9370  -25.6900
            18  C1b C    26.1366  -27.7826
            19  O1a O    26.1366  -24.9973
            20  C1a C    27.3259  -27.0960
            21  C1a C    20.0873  -27.0900
            22  C1y C    25.1370  -21.5377
            23  C1y C    21.2997  -21.4900
            24  O1a O    20.3439  -20.4489
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9   5 1 #Down
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21   16  18 1 #Down
            22   17  19 1 #Up
            23   18  20 1
            24    7  21 1
            25   15  22 1 #Up
            26   12  22 1 #Up
            27    9  23 1
            28   23  22 1
            29   23  24 1 #Down

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