KEGG   COMPOUND: C10446
Entry
C10446                      Compound                               

Name
Diferulic acid
Formula
C20H18O8
Exact mass
386.1002
Mol weight
386.3521
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Neolignans
    C10446  Diferulic acid
Other DBs
CAS: 436-96-4
PubChem: 12629
KNApSAcK: C00002734
3DMET: B03852
NIKKAJI: J82.063F
LinkDB
KCF data

ATOM        28
            1   C8y C    30.6564  -17.6949
            2   C8y C    29.4529  -18.4097
            3   C8y C    31.8774  -18.3787
            4   C8x C    30.6384  -16.2962
            5   C8y C    29.4709  -19.8085
            6   C8x C    28.2319  -17.7258
            7   C8y C    33.0863  -17.6638
            8   O1a O    31.8253  -19.7774
            9   C8y C    31.8415  -15.5754
            10  C8y C    28.2617  -20.5233
            11  O1a O    30.7622  -20.7081
            12  C8y C    27.0344  -18.4347
            13  C8x C    33.1386  -16.2651
            14  O2a O    34.3075  -18.3476
            15  C2b C    31.8236  -14.1710
            16  C8x C    27.0463  -19.8335
            17  O2a O    28.2796  -21.9278
            18  C2b C    25.8192  -17.7625
            19  C1a C    35.5165  -17.6327
            20  C2b C    33.0269  -13.4562
            21  C1a C    27.0821  -22.6367
            22  C2b C    24.6161  -18.4773
            23  C6a C    33.0089  -12.0574
            24  C6a C    23.3949  -17.8051
            25  O6a O    34.2120  -11.3369
            26  O6a O    31.7820  -11.3680
            27  O6a O    22.1917  -18.5141
            28  O6a O    23.3770  -16.4007
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 1
            17   12  18 1
            18   14  19 1
            19   15  20 2
            20   17  21 1
            21   18  22 2
            22   20  23 1
            23   22  24 1
            24   23  25 1
            25   23  26 2
            26   24  27 1
            27   24  28 2
            28    9  13 2
            29   12  16 2

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