KEGG   COMPOUND: C11816
Entry
C11816                      Compound                               
Name
Protoemetine
Formula
C19H27NO3
Exact mass
317.1991
Mol weight
317.4226
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C11816  Protoemetine
Other DBs
CAS: 549-91-7
PubChem: 13980
ChEBI: 8589
KNApSAcK: C00027472
3DMET: B04324
NIKKAJI: J15.491A
LinkDB
KCF data

ATOM        23
            1   C1y C    27.0738  -19.8726
            2   C8y C    25.8528  -19.1774
            3   N1y N    28.2891  -19.1891
            4   C1x C    27.0564  -21.2747
            5   C8y C    25.8587  -17.7753
            6   C8x C    24.6494  -19.8785
            7   C1x C    29.4868  -19.8960
            8   C1x C    28.2949  -17.7870
            9   C1y C    28.2715  -21.9817
            10  C1x C    27.0798  -17.0742
            11  C8x C    24.6494  -17.0685
            12  C8y C    23.4284  -19.1774
            13  C1y C    29.4751  -21.2981
            14  C1b C    28.2540  -23.3779
            15  C8y C    23.4284  -17.7753
            16  O2a O    22.2133  -19.8785
            17  C1b C    30.6785  -22.0049
            18  C4a C    29.4458  -24.0790
            19  O2a O    22.2133  -17.0685
            20  O4a O    30.6610  -23.4013
            21  C1a C    21.0006  -17.7634
            22  C1a C    21.0029  -19.1793
            23  C1a C    31.8941  -21.3150
BOND        25
            1     2   5 2
            2     2   6 1
            3     3   7 1
            4     3   8 1
            5     4   9 1
            6     5  10 1
            7     5  11 1
            8     6  12 2
            9     7  13 1
            10    9  14 1
            11   11  15 2
            12   12  16 1
            13   13  17 1
            14   14  18 1
            15   15  19 1
            16    8  10 1
            17    9  13 1
            18   12  15 1
            19   18  20 2
            20   19  21 1
            21    1   2 1
            22   16  22 1
            23    1   3 1
            24    1   4 1
            25   17  23 1

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