KEGG   COMPOUND: C21599
Entry
C21599                      Compound                               
Name
4'-O-Desmethylpapaveroxine
Formula
C21H23NO7
Exact mass
401.1475
Mol weight
401.41
Structure
Reaction
R11694 R11695
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
3.1.1.105
Other DBs
PubChem: 340125657
ChEBI: 176921
LinkDB
KCF data

ATOM        29
            1   C1y C    18.5937  -15.4481
            2   C8y C    17.3355  -14.7491
            3   N1y N    19.7820  -14.7491
            4   C1c C    18.5937  -16.9161
            5   C8y C    17.3355  -13.3511
            6   C8y C    16.1472  -15.4481
            7   C1x C    19.7820  -13.3511
            8   C1a C    20.7606  -13.5608
            9   C8y C    19.7820  -17.5452
            10  C8x C    16.1472  -12.6521
            11  C1x C    18.5238  -12.6521
            12  C8y C    14.8190  -14.8190
            13  C8y C    20.9703  -16.8462
            14  C8x C    19.7820  -18.9432
            15  C8y C    14.8190  -13.4210
            16  O2x O    13.5608  -15.2384
            17  C8y C    22.1587  -17.5452
            18  C8x C    21.0402  -19.6422
            19  O2x O    13.4909  -13.0016
            20  C1x C    12.7220  -14.1200
            21  C8y C    22.1587  -18.9432
            22  O2a O    23.2771  -16.8462
            23  O2a O    23.2771  -19.6422
            24  C1a C    24.4654  -17.5452
            25  C1a C    24.5353  -18.9432
            26  O1a O    16.1472  -16.9161
            27  O1a O    17.3355  -17.6151
            28  C4a C    20.9703  -15.4481
            29  O4a O    22.0887  -14.7491
BOND        32
            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    9  14 1
            13   10  15 1
            14   12  16 1
            15   13  17 1
            16   14  18 2
            17   15  19 1
            18   16  20 1
            19   17  21 2
            20   17  22 1
            21   21  23 1
            22   22  24 1
            23   23  25 1
            24    7  11 1
            25    9  13 2
            26   12  15 2
            27   18  21 1
            28   19  20 1
            29    6  26 1
            30    4  27 1 #Down
            31   13  28 1
            32   28  29 2

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