KEGG   COMPOUND: C21600
Entry
C21600                      Compound                               
Name
Narcotoline hemiacetal
Formula
C21H23NO7
Exact mass
401.1475
Mol weight
401.41
Structure
Reaction
R11695 R11696
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.415
Other DBs
PubChem: 340125658
ChEBI: 176935
LinkDB
KCF data

ATOM        29
            1   C1y C    20.2954  -15.3965
            2   C8y C    19.3856  -16.3763
            3   C1y C    20.2954  -13.9968
            4   O2x O    21.5551  -15.9564
            5   C8y C    20.0855  -17.6360
            6   C8x C    17.9859  -16.3763
            7   C8y C    19.1057  -13.2970
            8   N1y N    21.5551  -13.2970
            9   C1y C    21.4152  -17.2861
            10  C8y C    19.3856  -18.8957
            11  C8x C    17.2861  -17.6360
            12  C8y C    19.1057  -11.8973
            13  C8y C    17.9160  -13.9968
            14  C1x C    21.5551  -11.8973
            15  C1a C    22.7449  -13.9968
            16  C8y C    17.9859  -18.8957
            17  O2a O    20.0855  -20.0155
            18  C8x C    17.9160  -11.1975
            19  C1x C    20.2954  -11.1975
            20  C8y C    16.6562  -13.2970
            21  O2a O    17.2861  -20.0855
            22  C1a C    19.3856  -21.2052
            23  C8y C    16.6562  -11.8973
            24  O2x O    15.3265  -13.7169
            25  O2x O    15.3265  -11.4074
            26  C1x C    14.5567  -12.5972
            27  O1a O    17.9160  -15.3965
            28  C1a C    15.8864  -20.0855
            29  O1a O    22.4649  -18.2659
BOND        33
            1     2   5 2
            2     2   6 1
            3     3   7 1
            4     3   8 1
            5     4   9 1
            6     5  10 1
            7     6  11 2
            8     7  12 2
            9     7  13 1
            10    8  14 1
            11    8  15 1
            12   10  16 2
            13   10  17 1
            14   12  18 1
            15   12  19 1
            16   13  20 2
            17   16  21 1
            18   17  22 1
            19   18  23 2
            20   20  24 1
            21   23  25 1
            22   24  26 1
            23    5   9 1
            24   11  16 1
            25   14  19 1
            26   20  23 1
            27   25  26 1
            28    1   2 1
            29    1   3 1
            30   13  27 1
            31    1   4 1
            32   21  28 1
            33    9  29 1

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