KEGG   COMPOUND: C10569
Entry
C10569                      Compound                               

Name
Androcymbine
Formula
C21H25NO5
Exact mass
371.1733
Mol weight
371.4269
Structure
Other DBs
CAS: 2115-98-2
PubChem: 12752
ChEBI: 2708
KNApSAcK: C00002314
3DMET: B03965
NIKKAJI: J14.367G
KCF data

ATOM        27
            1   C1z C    24.3604  -14.9528
            2   C8y C    23.3081  -14.1221
            3   C2y C    25.6700  -14.6595
            4   C2x C    23.9606  -16.2378
            5   C1x C    24.6646  -13.6481
            6   C8y C    23.3086  -12.7756
            7   C8y C    22.1362  -14.7919
            8   C1y C    26.2523  -13.4425
            9   C2x C    26.5876  -15.6490
            10  C2y C    24.8705  -17.2296
            11  C1x C    27.2070  -12.1188
            12  C8x C    22.1424  -12.1017
            13  C1x C    24.3626  -11.9336
            14  C8y C    20.9752  -14.1208
            15  O2a O    22.1276  -16.1406
            16  C1x C    25.6780  -12.2304
            17  N1y N    27.5896  -13.4113
            18  C5x C    26.1828  -16.9311
            19  O2a O    24.2248  -18.4047
            20  C8y C    20.9758  -12.7742
            21  O1a O    19.8203  -14.8199
            22  C1a C    20.9638  -16.8081
            23  C1a C    28.5594  -14.3430
            24  O5x O    27.1548  -17.8708
            25  C1a C    22.9142  -18.7841
            26  O2a O    19.7897  -12.1360
            27  C1a C    18.6480  -12.8357
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1 #Down
            17    9  18 1
            18   10  19 1
            19   12  20 2
            20   14  21 1
            21   15  22 1
            22   17  23 1
            23   18  24 2
            24   19  25 1
            25   20  26 1
            26   26  27 1
            27   10  18 1
            28   11  17 1
            29   13  16 1
            30   14  20 1

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