KEGG   COMPOUND: C01795Help
Entry
C01795                      Compound                               

Name
Columbamine
Formula
C20H20NO4
Exact mass
338.1392
Mol weight
338.3771
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Biosynthesis of secondary metabolites
Enzyme
1.3.3.8         1.21.3.2        2.1.1.118
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C01795  Columbamine
BRITE hierarchy
Other DBs
CAS: 
3621-36-1
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8y C    26.4603  -19.9270
            2   C8y C    25.1665  -19.2510
            3   N5y N    27.6668  -19.2219 #+
            4   C8x C    26.4663  -21.3200
            5   C8y C    25.2189  -17.8522
            6   C8x C    24.0301  -19.9737
            7   C8x C    28.8732  -19.9037
            8   C1x C    27.6434  -17.8232
            9   C8y C    27.6843  -22.0077
            10  C8x C    23.9951  -17.1588
            11  C1x C    26.4254  -17.1354
            12  C8y C    22.7363  -19.2919
            13  C8y C    28.8148  -21.3024
            14  C8x C    27.6201  -23.4065
            15  C8y C    22.7830  -17.8872
            16  O1a O    21.4716  -19.7463
            17  C8y C    30.0971  -21.9961
            18  C8x C    28.9081  -24.0883
            19  O2a O    21.4366  -17.4677
            20  C8y C    30.1086  -23.3831
            21  O2a O    31.3034  -21.2791
            22  C1a C    20.4109  -18.4176
            23  O2a O    31.3267  -24.0825
            24  C1a C    32.5215  -21.9611
            25  C1a C    32.5448  -23.3715
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 2
            20   17  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25    8  11 1
            26    9  13 2
            27   12  15 2
            28   18  20 1

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