KEGG   COMPOUND: C17240
Entry
C17240                      Compound                               

Name
p-Hydroxybenzyldesulphoglucosinolate;
Desulfo-p-hydroxybenzylglucosinolate
Formula
C14H19NO7S
Exact mass
345.0882
Mol weight
345.3682
Structure
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.4.1.195       2.8.2.-
Brite
Glycosides [BR:br08021]
 S-glycosides
  C17240  p-Hydroxybenzyldesulphoglucosinolate
Other DBs
PubChem: 96023648
ChEBI: 80982
NIKKAJI: J991.759D
LinkDB
KCF data

ATOM        23
            1   C1y C    27.5218  -18.3671
            2   C1y C    28.6938  -19.0378
            3   O2x O    26.3614  -19.0318
            4   S2a S    27.5044  -16.9035
            5   C1y C    28.6881  -20.3906
            6   O1a O    29.8542  -18.3788
            7   C1y C    26.3614  -20.3846
            8   C2c C    27.5160  -15.5564
            9   C1y C    27.5160  -21.0670
            10  O1a O    29.8485  -21.0786
            11  C1b C    25.1893  -21.0844
            12  C1b C    26.2390  -14.8276
            13  N2b N    28.6822  -14.8800
            14  O1a O    27.5044  -22.4023
            15  O1a O    24.0056  -20.4139
            16  C8y C    24.9619  -15.5507
            17  O1b O    29.8602  -15.5507
            18  C8x C    24.9678  -17.0319
            19  C8x C    23.6732  -14.8218
            20  C8x C    23.6849  -17.7781
            21  C8x C    22.3846  -15.5623
            22  C8y C    22.3903  -17.0434
            23  O1a O    21.1699  -17.7569
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Up
            11    8  12 1
            12    8  13 2
            13    9  14 1 #Down
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   16  18 1
            18   16  19 2
            19   18  20 2
            20   19  21 1
            21   20  22 1
            22    7   9 1
            23   21  22 2
            24   22  23 1

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