KEGG   COMPOUND: C21590
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
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00946  Noscapine biosynthesis, (S)-reticuline => noscapine
Enzyme
2.1.1.352       3.1.1.105
Other DBs
PubChem: 340125650
ChEBI: 141643
KCF data

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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