KEGG   COMPOUND: C16726Help
Entry
C16726                      Compound                               

Name
Cinchoninone;
Cinchonan-9-one
Formula
C19H20N2O
Exact mass
292.1576
Mol weight
292.3749
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Other DBs
PubChem: 96023250
ChEBI: 80686
NIKKAJI: J2.804.734G
KCF data Show

ATOM        22
            1   C8x C    23.3923  -24.3040
            2   C8x C    23.3923  -25.7054
            3   C8x C    24.6059  -26.4060
            4   C8y C    25.8196  -25.7054
            5   C8y C    25.8196  -24.3040
            6   C8x C    24.6059  -23.6034
            7   N5x N    27.0331  -26.4060
            8   C8x C    28.2467  -25.7054
            9   C8x C    28.2467  -24.3040
            10  C8y C    27.0331  -23.6034
            11  C5a C    27.0331  -22.2020
            12  C1y C    28.2488  -21.5001
            13  O5a O    25.8216  -21.5025
            14  C1x C    27.5481  -20.2866
            15  C1y C    28.9017  -19.9238
            16  C1x C    30.2553  -20.2866
            17  C1x C    30.9560  -21.5001
            18  N1y N    29.6024  -21.1375
            19  C1x C    29.9209  -19.7974
            20  C1y C    29.2644  -18.5702
            21  C2b C    28.5637  -17.3566
            22  C2a C    29.5546  -16.3658
BOND        25
            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   11  12 1
            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

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