KEGG   COMPOUND: C01795
Entry
C01795                      Compound                               
Name
Columbamine
Formula
C20H20NO4
Exact mass
338.1392
Mol weight
338.3771
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  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
Other DBs
CAS: 3621-36-1
PubChem: 4922
ChEBI: 15920
KNApSAcK: C00024667
3DMET: B00352
NIKKAJI: J8.189B
KCF data

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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