KEGG   COMPOUND: C01175
Entry
C01175                      Compound                               
Name
1-O-Sinapoyl-beta-D-glucose;
1-O-Sinapoyl beta-D-glucoside
Formula
C17H22O10
Exact mass
386.1213
Mol weight
386.35
Structure
Reaction
R00063 R02380 R03075 R03323 R10261 R10298 R10299
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
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
Other DBs
PubChem: 4402
ChEBI: 16546
KNApSAcK: C00013592
PDB-CCD: SGS[PDBj]
NIKKAJI: J613.283I
KCF data

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

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   KNApSAcK (1)   
   MASSBANK (2)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (13)   
   KEGG ENZYME (6)   
   KEGG REACTION (7)   
Gene (38)   
   KEGG GENES (38)   
All databases (60)   

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