KEGG   COMPOUND: C05316Help
Entry
C05316                      Compound                               

Name
Dihydromacarpine;
13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
Formula
C22H19NO6
Exact mass
393.1212
Mol weight
393.3894
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.5.3.12        2.1.1.120
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05316  Dihydromacarpine
BRITE hierarchy
Other DBs
CAS: 
77785-12-7
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    25.3425  -20.5244
            2   C8y C    24.1327  -21.2208
            3   C8y C    26.5592  -21.2469
            4   C8x C    25.3662  -19.1317
            5   C8y C    24.1766  -22.6159
            6   C8y C    22.9183  -20.5007
            7   C8y C    27.7690  -20.5624
            8   N1y N    26.5474  -22.6515
            9   C8y C    26.5853  -18.4472
            10  C1x C    25.3235  -23.3385
            11  C8x C    21.6966  -21.2089
            12  O2a O    22.8576  -19.1056
            13  C8y C    27.7928  -19.1604
            14  C8x C    28.9622  -21.2730
            15  C1a C    27.7641  -23.3504
            16  C1a C    21.7109  -18.4044
            17  C8x C    29.0002  -18.4854
            18  C8y C    30.1790  -20.5790
            19  C8y C    30.2027  -19.1839
            20  O2x O    31.4934  -21.0355
            21  O2x O    31.5313  -18.7847
            22  C1x C    32.3347  -19.9208
            23  C8y C    22.8929  -23.3300
            24  C8y C    21.6847  -22.6135
            25  O2x O    20.6299  -23.5411
            26  C1x C    21.1862  -24.8307
            27  O2x O    22.5847  -24.7004
            28  O2a O    26.6008  -17.0489
            29  C1a C    25.3974  -16.3365
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 1
            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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