KEGG   COMPOUND: C06165Help
Entry
C06165                      Compound                               

Name
Macarpine
Formula
C22H18NO6
Exact mass
392.1134
Mol weight
392.3814
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06165  Macarpine
BRITE hierarchy
Other DBs
CAS: 
23594-80-1
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    25.3425  -20.5131
            2   C8y C    24.1327  -21.2094
            3   C8y C    26.5592  -21.2355
            4   C8x C    25.3662  -19.1204
            5   C8y C    24.1766  -22.6045
            6   C8y C    22.9183  -20.4893
            7   C8y C    27.7690  -20.5510
            8   N5y N    26.5474  -22.6401 #+
            9   C8y C    26.5853  -18.4359
            10  C8x C    25.3235  -23.3271
            11  C8x C    21.6966  -21.1976
            12  O2a O    22.8576  -19.0943
            13  C8y C    27.7928  -19.1490
            14  C8x C    28.9622  -21.2616
            15  C1a C    27.7641  -23.3390
            16  C1a C    21.7109  -18.3930
            17  C8x C    29.0002  -18.4740
            18  C8y C    30.1790  -20.5676
            19  C8y C    30.2027  -19.1726
            20  O2x O    31.4934  -21.0241
            21  O2x O    31.5313  -18.7734
            22  C1x C    32.3347  -19.9094
            23  C8y C    22.8929  -23.3187
            24  C8y C    21.6847  -22.6021
            25  O2x O    20.6299  -23.5297
            26  C1x C    21.1862  -24.8193
            27  O2x O    22.5847  -24.6890
            28  O2a O    26.6008  -17.0376
            29  C1a C    25.3974  -16.3251
BOND        34
            1     3   8 1
            2     4   9 2
            3     5  23 1
            4     5  10 1
            5     6  11 2
            6     6  12 1
            7     7  13 2
            8     7  14 1
            9     8  15 1
            10   12  16 1
            11   13  17 1
            12   14  18 2
            13   17  19 2
            14   18  20 1
            15   19  21 1
            16   20  22 1
            17    8  10 2
            18    9  13 1
            19   11  24 1
            20   18  19 1
            21   21  22 1
            22    1   2 1
            23    1   3 2
            24    1   4 1
            25    2   5 2
            26   23  24 2
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  23 1
            31    2   6 1
            32    9  28 1
            33    3   7 1
            34   28  29 1

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