KEGG   COMPOUND: C21590Help
Entry
C21590                      Compound                               

Name
4'-O-Desmethyl-3-O-acetylpapaveroxine;
3-O-Acetyl-4'-O-demethylpapaveroxine
Formula
C23H25NO8
Exact mass
443.158
Mol weight
443.4465
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.352       3.1.1.105
Other DBs
PubChem: 340125650
ChEBI: 141643
KCF data Show

ATOM        32
            1   C1y C    18.5239  -15.4481
            2   C8y C    17.2656  -14.7491
            3   N1y N    19.7122  -14.7491
            4   C1c C    18.5239  -16.9161
            5   C8y C    17.2656  -13.3511
            6   C8y C    16.0773  -15.4481
            7   C1x C    19.7122  -13.3511
            8   C1a C    20.6908  -13.5606
            9   C8y C    19.7122  -17.5452
            10  C8x C    16.0773  -12.6521
            11  C1x C    18.4539  -12.6521
            12  C8y C    14.7492  -14.8191
            13  C8y C    20.9005  -16.8462
            14  C8x C    19.7121  -18.9432
            15  C8y C    14.7492  -13.4210
            16  O2x O    13.4910  -15.2385
            17  C8y C    22.0888  -17.5452
            18  C8x C    20.9704  -19.6422
            19  O2x O    13.4211  -13.0016
            20  C1x C    12.6521  -14.1200
            21  C8y C    22.0888  -18.9432
            22  O2a O    23.2772  -16.8462
            23  O2a O    23.2772  -19.6422
            24  C1a C    24.4655  -17.5452
            25  C1a C    24.5353  -18.9432
            26  O1a O    16.0773  -16.9161
            27  O7a O    17.2656  -17.6151
            28  C7a C    17.2656  -19.0131
            29  C1a C    16.1472  -19.7121
            30  O6a O    18.5239  -19.7121
            31  C4a C    20.9005  -15.4453
            32  O4a O    22.0781  -14.7660
BOND        35
            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   27  28 1
            31    4  27 1 #Down
            32   28  29 1
            33   28  30 2
            34   13  31 1
            35   31  32 2

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