KEGG   COMPOUND: C22466
Entry
C22466                      Compound                               
Name
Hyoscyamine aldehyde
Formula
C17H21NO3
Exact mass
287.1521
Mol weight
287.3535
Structure
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
KCF data

ATOM        21
            1   C1x C    13.3700  -17.0100
            2   C1x C    13.7200  -15.8200
            3   C1y C    14.5600  -16.7300
            4   C1y C    14.9100  -15.5400
            5   N1y N    13.6500  -14.2100
            6   C1x C    16.4500  -16.7300
            7   C1x C    16.1700  -15.5400
            8   C1y C    17.5000  -17.2900
            9   O7a O    18.5500  -18.1300
            10  C7a C    19.7400  -18.1300
            11  C1c C    20.3700  -17.0800
            12  O6a O    20.3700  -19.3200
            13  C8y C    21.6300  -17.0800
            14  C4a C    19.7400  -16.0300
            15  O4a O    20.3700  -14.9800
            16  C8x C    22.3300  -18.3400
            17  C8x C    23.7300  -18.3400
            18  C8x C    24.4300  -17.0800
            19  C8x C    23.7300  -15.8900
            20  C8x C    22.3300  -15.8900
            21  C1a C    12.8800  -13.0200
BOND        23
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     8   9 1 #Down
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   11  14 1 #Down
            14   14  15 2
            15    4   5 1
            16    7   8 1
            17   13  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   13  20 1
            23    5  21 1

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