KEGG   COMPOUND: C11381
Entry
C11381                      Compound                               

Name
Benzoyltropein;
Benzoyltropine
Formula
C15H19NO2
Exact mass
245.1416
Mol weight
245.3169
Structure
Other DBs
CAS: 19145-60-9
PubChem: 13555
ChEBI: 3043
ChEMBL: CHEMBL1947051 CHEMBL1947052
KNApSAcK: C00025552
3DMET: B05522
NIKKAJI: J6.360F
KCF data

ATOM        18
            1   C8y C    31.2091  -17.8109
            2   C8x C    32.5229  -17.8109
            3   C8x C    33.1834  -16.6672
            4   C8x C    32.5229  -15.5303
            5   C8x C    31.2091  -15.5303
            6   C8x C    30.5560  -16.6672
            7   O7a O    29.2086  -18.9065
            8   C7a C    30.5321  -18.8667
            9   O6a O    31.1642  -20.0927
            10  C1y C    28.5007  -17.6826
            11  C1x C    27.5074  -16.1671
            12  C1x C    27.5074  -17.2022
            13  C1y C    26.0502  -16.1671
            14  C1y C    25.9673  -17.2022
            15  N1y N    25.2123  -15.2415
            16  C1x C    25.0207  -16.7687
            17  C1x C    24.4818  -17.8660
            18  C1a C    25.2052  -13.8061
BOND        20
            1     3   4 1
            2     4   5 2
            3     5   6 1
            4     6   1 2
            5     1   2 1
            6     2   3 2
            7     7   8 1
            8    10  11 1
            9    10  12 1
            10   11  13 1
            11   12  14 1
            12   13  15 1
            13   13  16 1
            14   14  17 1
            15   14  15 1
            16   16  17 1
            17   10   7 1 #Down
            18    8   1 1
            19   15  18 1
            20    8   9 2

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