KEGG   COMPOUND: C04118Help
Entry
C04118                      Compound                               

Name
Isocorypalmine;
5,8,13,13a-Tetrahydrocolumbamine;
(S)-Tetrahydrocolumbamine;
(13aS)-5,8,13,13a-Tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol
Formula
C20H23NO4
Exact mass
341.1627
Mol weight
341.4009
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         1.14.21.5       2.1.1.89        2.1.1.117
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C04118  (S)-Tetrahydrocolumbamine
BRITE hierarchy
Other DBs
CAS: 
483-34-1
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1y C    28.8347  -16.2814
            2   C8y C    27.5526  -15.6055
            3   N1y N    30.0466  -15.5879
            4   C1x C    28.8463  -17.6739
            5   C8y C    27.6052  -14.2070
            6   C8x C    26.4165  -16.3221
            7   C1x C    31.2586  -16.2697
            8   C1x C    30.0349  -14.1837
            9   C8y C    30.0582  -18.3731
            10  C8x C    26.3815  -13.5135
            11  C1x C    28.8171  -13.4904
            12  C8y C    25.1872  -15.6404
            13  C8y C    31.2586  -17.6682
            14  C8x C    30.0642  -19.7658
            15  C8y C    25.1755  -14.2303
            16  O1a O    23.8585  -16.0948
            17  C8y C    32.4765  -18.3615
            18  C8x C    31.2703  -20.4532
            19  O2a O    23.8237  -13.8108
            20  C8y C    32.4765  -19.7599
            21  O2a O    33.6824  -17.6506
            22  C1a C    22.5882  -14.7606
            23  O2a O    33.6941  -20.4532
            24  C1a C    34.9062  -18.3557
            25  C1a C    34.9119  -19.7483
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            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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