KEGG   COMPOUND: C16728Help
Entry
C16728                      Compound                               

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

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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