KEGG   COMPOUND: C16712
Entry
C16712                      Compound                               
Name
Deacetylcolchicine;
Trimethylcolchicinic acid methyl ether
Formula
C20H23NO5
Exact mass
357.1576
Mol weight
357.40
Structure
Reaction
R08452 R08453
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.-
Other DBs
CAS: 3476-50-4
PubChem: 96023236
ChEBI: 80676
NIKKAJI: J55.416B
LinkDB
KCF data

ATOM        26
            1   C2y C    24.4349  -15.0463
            2   C8y C    23.3612  -14.1988
            3   C2y C    25.7711  -14.7471
            4   C8y C    23.3617  -12.8249
            5   C8y C    22.1655  -14.8821
            6   C1y C    26.3652  -13.5054
            7   C8x C    22.1718  -12.1373
            8   C1x C    24.4371  -11.9658
            9   C8y C    20.9810  -14.1974
            10  O2a O    22.1567  -16.2582
            11  C1x C    25.7792  -12.2687
            12  N1a N    27.7296  -13.4735
            13  C8y C    20.9816  -12.8235
            14  O2a O    19.8026  -14.9107
            15  C1a C    20.9693  -16.9393
            16  O2a O    19.7714  -12.1723
            17  C1a C    18.6065  -12.8862
            18  C1a C    18.4229  -14.5411
            19  C2x C    23.7207  -16.2834
            20  C2x C    24.4349  -17.5204
            21  C2y C    25.8146  -17.8902
            22  C5x C    27.0516  -17.1760
            23  C2x C    27.0516  -15.7476
            24  O5x O    28.2938  -17.8934
            25  O2a O    25.9962  -19.2731
            26  C1a C    27.3290  -19.8256
BOND        28
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 2
            13    9  14 1
            14   10  15 1
            15   13  16 1
            16   16  17 1
            17    8  11 1
            18    9  13 1
            19   14  18 1
            20    1  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   23   3 2
            26   22  24 2
            27   21  25 1
            28   25  26 1

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