KEGG   COMPOUND: C00761
Entry
C00761                      Compound                               

Name
Coniferin
Formula
C16H22O8
Exact mass
342.1315
Mol weight
342.3411
Structure
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.111       3.2.1.126
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Coniferyl alcohol derivatives
    C00761  Coniferin
Other DBs
CAS: 531-29-3
PubChem: 4023
ChEBI: 16220
ChEMBL: CHEMBL459056
KNApSAcK: C00002727
3DMET: B01326
NIKKAJI: J6.979E
KCF data

ATOM        24
            1   C8y C    32.1650  -16.1995
            2   C8x C    32.1650  -17.6016
            3   C8x C    33.3792  -18.3026
            4   C8y C    34.5934  -17.6016
            5   C8y C    34.5934  -16.1995
            6   C8x C    33.3792  -15.4985
            7   O2a O    35.8263  -15.4875
            8   C1a C    35.8263  -14.0855
            9   O2a O    35.8263  -18.3136
            10  C2b C    30.9508  -15.4985
            11  C2b C    29.7536  -16.1899
            12  C1b C    28.5644  -15.5034
            13  C1y C    37.0405  -19.0147
            14  O2x O    37.0408  -20.4053
            15  C1y C    38.2552  -21.1061
            16  C1y C    39.4693  -20.4049
            17  C1y C    39.4690  -19.0143
            18  C1y C    38.2546  -18.3134
            19  C1b C    38.2554  -22.5088
            20  O1a O    39.4761  -23.2133
            21  O1a O    40.6736  -21.1001
            22  O1a O    40.6775  -18.3161
            23  O1a O    38.2543  -16.9006
            24  O1a O    28.5644  -14.1034
BOND        25
            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     7   8 1
            9     4   9 1
            10    1  10 1
            11   10  11 2
            12   11  12 1
            13   13   9 1 #Up
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   15  19 1 #Up
            21   19  20 1
            22   16  21 1 #Down
            23   17  22 1 #Up
            24   18  23 1 #Down
            25   12  24 1

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