KEGG   COMPOUND: C16728
Entry
C16728                      Compound                               

Name
Quinidinone
Formula
C20H22N2O2
Exact mass
322.1681
Mol weight
322.4009
Structure
Reaction
Pathway
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Other DBs
CAS: 14528-53-1
PubChem: 96023252
ChEBI: 182513 80688
ChEMBL: CHEMBL2262642
NIKKAJI: J2.805.451C
KCF data

ATOM        24
            1   C8y C    16.0461  -19.1275
            2   C8x C    16.0461  -20.5291
            3   C8x C    17.2599  -21.2299
            4   C8y C    18.4738  -20.5291
            5   C8y C    18.4738  -19.1275
            6   C8x C    17.2599  -18.4267
            7   N5x N    19.6875  -21.2299
            8   C8x C    20.9014  -20.5291
            9   C8x C    20.9014  -19.1275
            10  C8y C    19.6875  -18.4267
            11  C5a C    19.6875  -17.0251
            12  C1y C    20.9035  -16.3230
            13  O5a O    18.4758  -16.3254
            14  C1x C    20.2026  -15.1093
            15  C1y C    21.5565  -14.7464
            16  C1x C    22.9104  -15.1093
            17  C1x C    23.6112  -16.3230
            18  N1y N    22.2573  -15.9604
            19  C1x C    22.5759  -14.6200
            20  C1y C    21.9193  -13.3926
            21  C2b C    21.2184  -12.1788
            22  C2a C    22.2095  -11.1878
            23  O2a O    14.8180  -18.4186
            24  C1a C    13.6269  -19.1066
BOND        27
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   12  11 1 #Up
            14   11  13 2
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   15  20 1
            21   20  19 1
            22   20  21 1 #Up
            23   21  22 2
            24   19  18 1
            25   18  12 1
            26    1  23 1
            27   23  24 1

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