KEGG   COMPOUND: C21692
Entry
C21692                      Compound                               

Name
omega-(Methylsulfinyl)alkyl-glucosinolate
Formula
C10H19NO10S3(CH2)n
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 350078269
KCF data

ATOM        25
            1   C1y C    19.2500  -16.3800
            2   S2a S    19.2500  -14.9800
            3   O2x O    18.1300  -17.0100
            4   C1y C    20.4400  -17.0100
            5   C2c C    19.2500  -13.6500
            6   C1y C    18.1300  -18.3400
            7   C1y C    20.4400  -18.3400
            8   O1a O    21.5600  -16.3800
            9   N2b N    20.4400  -12.9500
            10  C1y C    19.2500  -19.0400
            11  C1b C    17.0100  -19.0400
            12  O1a O    21.5600  -19.0400
            13  O2a O    21.5600  -12.3200
            14  O1a O    19.2500  -20.3700
            15  O1a O    15.8200  -18.4100
            16  S4a S    22.8200  -13.2300
            17  O1d O    23.8700  -12.0400
            18  O1d O    21.7000  -14.3500
            19  O1d O    24.0800  -14.0000
            20  C1b C    17.9900  -12.9500
            21  C1b C    16.8000  -13.6500
            22  C1b C    15.6100  -12.9500
            23  S4a S    14.4200  -13.6500
            24  C1a C    13.1600  -12.9500
            25  O1d O    14.4200  -15.0500
BOND        25
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 2
            9     6  10 1
            10    6  11 1 #Up
            11    7  12 1 #Up
            12    9  13 1
            13   10  14 1 #Down
            14   11  15 1
            15   13  16 1
            16   16  17 2
            17   16  18 2
            18   16  19 1
            19    7  10 1
            20    5  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   23  25 2
BRACKET     1    15.1900  -14.4900   15.1900  -12.2500
            1    16.2400  -12.2500   16.2400  -14.4900
            1  n
 ORIGINAL  1   22
 REPEAT    1

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