KEGG   COMPOUND: C20371
Entry
C20371                      Compound                               
Name
Ecgonone methyl ester
Formula
C10H15NO3
Exact mass
197.1052
Mol weight
197.231
Structure
Reaction
R10114
Enzyme
1.1.1.334
Other DBs
PubChem: 163312109
ChEBI: 182527
LinkDB
KCF data

ATOM        14
            1   C1x C    18.6928  -17.5525
            2   C1y C    17.2944  -16.5633
            3   C1y C    17.2182  -17.5525
            4   N1y N    16.4820  -15.6773
            5   C1x C    16.3039  -17.1388
            6   C1x C    15.7914  -18.1973
            7   C1a C    16.4720  -14.2964
            8   C1y C    18.6928  -16.5633
            9   C5x C    19.6366  -18.0148
            10  C7a C    19.3281  -15.3524
            11  O7a O    20.6961  -15.3801
            12  O6a O    18.6407  -14.1546
            13  C1a C    21.4351  -16.5028
            14  O5x O    20.6904  -18.9486
BOND        15
            1     3   4 1
            2     5   6 1
            3     4   7 1
            4     9   1 1
            5     8   2 1
            6     8   9 1
            7     1   3 1
            8     2   4 1
            9     8  10 1 #Up
            10    2   5 1
            11   10  11 1
            12    3   6 1
            13   10  12 2
            14   11  13 1
            15    9  14 2

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