KEGG   COMPOUND: C09041Help
Entry
C09041                      Compound                               

Name
Aspidospermatine
Formula
C21H26N2O2
Exact mass
338.1994
Mol weight
338.4433
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 5794-14-9
PubChem: 11233
ChEBI: 2888
3DMET: B02635
NIKKAJI: J126.992E
KCF data Show

ATOM        25
            1   C2y C    29.6577  -17.4031
            2   C2b C    30.3567  -16.1885
            3   C1a C    31.7548  -16.1885
            4   C8y C    26.5430  -19.2010
            5   C8y C    26.5148  -20.5349
            6   C8x C    24.2371  -19.2593
            7   C8x C    24.2130  -20.5932
            8   C8y C    25.4555  -21.2166
            9   C8x C    25.3706  -18.5562
            10  C1x C    29.9197  -19.6957
            11  C1y C    30.4548  -18.4768
            12  C1y C    28.3471  -17.5520
            13  N1y N    27.3479  -16.6674
            14  C1x C    26.1993  -17.3341
            15  C1x C    26.4776  -18.6423
            16  C1x C    28.1547  -15.6122
            17  C1x C    31.2613  -17.4214
            18  C1y C    28.6013  -19.8481
            19  C1z C    27.8107  -18.7725
            20  N1y N    27.8311  -20.9314
            21  O2a O    25.4798  -22.5349
            22  C5a C    28.4806  -22.0548
            23  C1a C    29.7799  -22.0548
            24  O5a O    27.8311  -23.1703
            25  C1a C    24.5406  -23.4669
BOND        29
            1     7   8 2
            2    19  12 1
            3    12  13 1
            4    13  14 1
            5    14  15 1
            6    19  15 1 #Down
            7     8   5 1
            8    13  16 1
            9     4   9 1
            10   11  17 1
            11    9   6 2
            12    2   3 1
            13    1   2 2
            14   18  19 1
            15   19   4 1
            16    5  20 1
            17   20  18 1
            18   18  10 1
            19   10  11 1
            20    8  21 1
            21   11   1 1
            22    1  12 1
            23   20  22 1
            24   22  23 1
            25    4   5 2
            26   22  24 2
            27    6   7 1
            28   21  25 1
            29   16  17 1

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