KEGG   COMPOUND: C08408
Entry
C08408                      Compound                               
Name
Glucoconringiin;
2-Hydroxy-2-methylpropyl glucosinolate
Formula
C11H21NO10S2
Exact mass
391.0607
Mol weight
391.4151
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from leucine
    C08408  Glucoconringiin
Other DBs
CAS: 28463-28-7
PubChem: 10604
ChEBI: 5403 79363
KNApSAcK: C00001469
NIKKAJI: J1.240.474C
KCF data

ATOM        24
            1   C1y C    20.4344  -16.6179
            2   C1y C    21.5759  -17.2876
            3   O2x O    19.2756  -17.2817
            4   S2a S    20.4169  -15.1795
            5   C1y C    21.5700  -18.6095
            6   O1a O    22.7231  -16.6295
            7   C1y C    19.2756  -18.6037
            8   C2c C    20.4228  -13.8577
            9   C1y C    20.4285  -19.2735
            10  O1a O    22.7172  -19.2850
            11  C1b C    18.1341  -19.2909
            12  N2b N    21.5642  -13.1820
            13  C1b C    19.1650  -13.1239
            14  O1a O    20.4169  -20.5953
            15  O1a O    16.9753  -18.6387
            16  O2a O    22.7114  -12.5181
            17  C1d C    17.8896  -13.8518
            18  S4a S    23.9576  -13.4500
            19  C1a C    17.9012  -15.3077
            20  C1a C    16.6318  -14.5739
            21  O1a O    16.6201  -13.1180
            22  O1d O    25.0291  -12.2329
            23  O1d O    22.8454  -14.5972
            24  O1d O    25.2446  -14.2595
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 2
            12    8  13 1
            13    9  14 1 #Down
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 2
            23   18  24 1
            24    7   9 1

» Japanese version

  All links  
Chemical substance (5)   
   PubChem (1)   
   ChEBI (2)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (5)   

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