KEGG   COMPOUND: C08425Help
Entry
C08425                      Compound                               

Name
Progoitrin;
2(R)-2-Hydroxy-3-butenyl glucosinolate;
Glucorapiferin
Formula
C11H19NO10S2
Exact mass
389.045
Mol weight
389.3993
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from methionine
    C08425  2(R)-2-Hydroxy-3-butenyl glucosinolate
BRITE hierarchy
Other DBs
CAS: 
585-95-5
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1y C    21.1109  -16.5781
            2   S2a S    21.0933  -15.1378
            3   O2x O    19.9562  -17.2429
            4   C1y C    22.2597  -17.2486
            5   C2c C    21.1050  -13.8140
            6   C1y C    19.9562  -18.5665
            7   C1y C    22.2537  -18.5724
            8   O1a O    23.4027  -16.5898
            9   C1b C    19.8455  -13.0909
            10  N2b N    22.2480  -13.1376
            11  C1y C    21.1050  -19.2372
            12  C1b C    18.8075  -19.2546
            13  O1a O    23.3967  -19.2488
            14  C1c C    18.5859  -13.8081
            15  O2a O    23.3910  -12.4728
            16  O1a O    21.0933  -20.5608
            17  O1a O    17.6530  -18.6015
            18  C2b C    17.3148  -13.0793
            19  O1a O    18.5917  -15.2660
            20  S4a S    24.6388  -13.4058
            21  C2a C    16.0551  -13.8081
            22  O1d O    25.7118  -12.1870
            23  O1d O    23.5368  -14.5546
            24  O1d O    25.9334  -14.2163
BOND        24
            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 1 #Up
            19   15  20 1
            20   18  21 2
            21   20  22 2
            22   20  23 2
            23   20  24 1
            24    7  11 1

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