KEGG   COMPOUND: C05316
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
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  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
Other DBs
CAS: 77785-12-7
PubChem: 7698
ChEBI: 18029
KNApSAcK: C00024644 C00028198
3DMET: B01842
NIKKAJI: J613.285E
KCF data

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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