KEGG   COMPOUND: C17275Help
Entry
C17275                      Compound                               

Name
Glucosisymbrin;
1-Methyl-2-hydroxyetyl glucosinolate
Formula
C10H19NO10S2
Exact mass
377.045
Mol weight
377.3886
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from valine
    C17275  Glucosisymbrin
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
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KCF data Show

ATOM        23
            1   C1y C    20.3671  -16.8164
            2   O2x O    19.2091  -17.4867
            3   C1y C    21.5248  -17.4924
            4   S2a S    20.3493  -15.3647
            5   C1y C    19.2091  -18.8149
            6   C1y C    21.5189  -18.8209
            7   O1a O    22.6770  -16.8282
            8   C2c C    20.3610  -14.0305
            9   C1y C    20.3610  -19.4909
            10  C1b C    18.0453  -19.5086
            11  O1a O    22.6711  -19.5026
            12  N2b N    21.5131  -13.3487
            13  C1c C    19.0915  -13.3016
            14  O1a O    20.3493  -20.8309
            15  O1a O    16.8816  -18.8561
            16  O2a O    22.6653  -12.6727
            17  S4a S    23.9231  -13.6190
            18  O1d O    25.0045  -12.3906
            19  O1d O    22.8121  -14.7769
            20  O1d O    25.2279  -14.4360
            21  C1a C    19.0915  -11.8925
            22  C1b C    17.8516  -14.0191
            23  O1a O    16.6623  -13.3339
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 2
            12    8  13 1
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   16  17 1
            17   17  18 2
            18   17  19 2
            19   17  20 1
            20    6   9 1
            21   13  21 1
            22   13  22 1
            23   22  23 1

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