KEGG   COMPOUND: C01175Help
Entry
C01175                      Compound                               

Name
1-O-Sinapoyl-beta-D-glucose;
1-O-Sinapoyl beta-D-glucoside
Formula
C17H22O10
Exact mass
386.1213
Mol weight
386.3506
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Enzyme
2.3.1.91        2.3.1.92        2.3.1.103       2.4.1.120       
2.4.1.126       2.4.1.299
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Sinapate derivatives
    C01175  1-O-Sinapoyl-beta-D-glucose
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8y C    24.9900  -23.0300
            2   C8x C    24.9900  -24.4300
            3   C8y C    26.2024  -25.1300
            4   C8y C    27.4149  -24.4300
            5   C8y C    27.4149  -23.0300
            6   C8x C    26.2024  -22.3300
            7   O2a O    28.6460  -22.3190
            8   O1a O    28.6460  -25.1410
            9   O2a O    26.2024  -26.5298
            10  C1a C    24.9732  -27.2397
            11  C1a C    28.6460  -20.9190
            12  C2b C    23.7776  -22.3300
            13  C2b C    22.5821  -23.0204
            14  C7a C    21.3947  -22.3349
            15  O7a O    20.2035  -23.0229
            16  O6a O    21.3945  -20.9302
            17  C1y C    18.9911  -23.7229
            18  O2x O    17.7661  -23.0155
            19  C1y C    16.5536  -23.7153
            20  C1y C    16.5534  -25.1153
            21  C1y C    17.7784  -25.8228
            22  C1y C    18.9909  -25.1229
            23  C1b C    15.3229  -23.0041
            24  O1a O    14.1044  -23.7067
            25  O1a O    15.3095  -25.8334
            26  O1a O    17.7782  -27.2300
            27  O1a O    20.1905  -25.8159
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     3   9 1
            10    9  10 1
            11    7  11 1
            12    1  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17   17  15 1 #Up
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   17  22 1
            24   19  23 1 #Up
            25   23  24 1
            26   20  25 1 #Down
            27   21  26 1 #Up
            28   22  27 1 #Down

» Japanese version

DBGET integrated database retrieval system