KEGG   COMPOUND: C02153Help
Entry
C02153                      Compound                               

Name
Glucotropaeolin;
Glucotropeolin;
Benzyl glucosinolate
Formula
C14H19NO9S2
Exact mass
409.0501
Mol weight
409.432
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Glucosinolate biosynthesis
Biosynthesis of secondary metabolites
2-Oxocarboxylic acid metabolism
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from phenylalanine
    C02153  Benzyl glucosinolate
BRITE hierarchy
Other DBs
CAS: 
499-26-3
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1y C    21.0349  -16.5898
            2   S2a S    21.0175  -15.1552
            3   O2x O    19.8920  -17.2429
            4   C1y C    22.1836  -17.2486
            5   C2c C    21.0291  -13.8374
            6   C1y C    19.8920  -18.5665
            7   C1y C    22.1779  -18.5724
            8   O1a O    23.3150  -16.6015
            9   C1b C    19.7753  -13.1200
            10  N2b N    22.1720  -13.1726
            11  C1y C    21.0291  -19.2313
            12  C1b C    18.7490  -19.2489
            13  O1a O    23.3092  -19.2429
            14  C8y C    18.5216  -13.8314
            15  O2a O    23.3033  -12.5019
            16  O1a O    21.0175  -20.5493
            17  O1a O    17.5886  -18.5958
            18  C8x C    18.5275  -15.2836
            19  C8x C    17.2620  -13.1142
            20  S4a S    24.5454  -13.4291
            21  C8x C    17.2737  -16.0182
            22  C8x C    16.0025  -13.8431
            23  O1d O    25.6125  -12.2163
            24  O1d O    23.4433  -14.5721
            25  O1d O    25.8342  -14.2397
            26  C8x C    16.0083  -15.2953
BOND        27
            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 1
            9     5  10 2
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 1
            14   10  15 1
            15   11  16 1 #Down
            16   12  17 1
            17   14  18 1
            18   14  19 2
            19   15  20 1
            20   18  21 2
            21   19  22 1
            22   20  23 2
            23   20  24 2
            24   20  25 1
            25   21  26 1
            26    7  11 1
            27   22  26 2

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