KEGG   COMPOUND: C21591Help
Entry
C21591                      Compound                               

Name
3-O-Acetylpapaveroxine
Formula
C24H27NO8
Exact mass
457.1737
Mol weight
457.4731
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: 340125651
ChEBI: 141645
KCF data Show

ATOM        33
            1   C1y C    18.5647  -15.4823
            2   C8y C    17.3038  -14.7817
            3   N1y N    19.7556  -14.7817
            4   C1c C    18.5647  -16.9535
            5   C8y C    17.3038  -13.3806
            6   C8y C    16.1128  -15.4823
            7   C1x C    19.7556  -13.3806
            8   C1a C    20.8064  -13.5909
            9   C8y C    19.7556  -17.5839
            10  C8x C    16.1128  -12.6801
            11  C1x C    18.4946  -12.6801
            12  C8y C    14.7817  -14.8518
            13  C8y C    20.9466  -16.8834
            14  C8x C    19.7557  -18.9850
            15  C8y C    14.7817  -13.4507
            16  O2x O    13.5207  -15.2721
            17  C8y C    22.1375  -17.5839
            18  C8x C    21.0166  -19.6856
            19  O2x O    13.4507  -13.0303
            20  C1x C    12.6801  -14.1512
            21  C8y C    22.1375  -18.9850
            22  O2a O    23.3285  -16.8834
            23  O2a O    23.3285  -19.6856
            24  C1a C    24.5194  -17.5839
            25  C1a C    24.5895  -18.9850
            26  O7a O    17.3038  -17.6540
            27  C7a C    17.3037  -19.0551
            28  C1a C    16.1829  -19.7556
            29  O6a O    18.5647  -19.7556
            30  C4a C    20.9466  -15.4823
            31  O4a O    22.0675  -14.7817
            32  O2a O    16.1128  -16.8842
            33  C1a C    14.8987  -17.5851
BOND        36
            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   26  27 1
            30    4  26 1 #Down
            31   27  28 1
            32   27  29 2
            33   13  30 1
            34   30  31 2
            35    6  32 1
            36   32  33 1

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