KEGG   COMPOUND: C10437Help
Entry
C10437                      Compound                               

Name
Chicoric acid
Formula
C22H18O12
Exact mass
474.0798
Mol weight
474.3711
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
70831-56-0
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1c C    27.3990  -19.9324
            2   C1c C    28.6011  -20.6326
            3   O7a O    26.1855  -20.6385
            4   C6a C    27.3933  -18.5321
            5   O7a O    29.8146  -19.9267
            6   C6a C    28.6068  -22.0329
            7   C7a C    24.9718  -19.9383
            8   O6a O    28.6011  -17.8319
            9   O6a O    26.1738  -17.8378
            10  C7a C    31.0282  -20.6268
            11  O6a O    27.3990  -22.7331
            12  O6a O    29.8204  -22.7272
            13  C2b C    23.7582  -20.6443
            14  O6a O    24.9660  -18.5380
            15  C2b C    32.2419  -19.9207
            16  O6a O    31.0282  -22.0272
            17  C2b C    22.5445  -19.9500
            18  C2b C    33.4554  -20.6152
            19  C8y C    21.3367  -20.6502
            20  C8y C    34.6632  -19.9150
            21  C8x C    20.1291  -19.9500
            22  C8x C    21.3367  -22.0563
            23  C8x C    34.6691  -18.5146
            24  C8x C    35.8769  -20.6152
            25  C8y C    18.9096  -20.6502
            26  C8x C    20.1291  -22.7565
            27  C8y C    35.8827  -17.8202
            28  C8x C    37.0905  -19.9150
            29  C8y C    18.9096  -22.0563
            30  O1a O    17.7018  -19.9500
            31  C8y C    37.0962  -18.5146
            32  O1a O    35.8827  -16.4141
            33  O1a O    17.7018  -22.7565
            34  O1a O    38.3040  -17.8202
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 2
            14   10  15 1
            15   10  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   20  24 2
            24   21  25 2
            25   22  26 1
            26   23  27 2
            27   24  28 1
            28   25  29 1
            29   25  30 1
            30   27  31 1
            31   27  32 1
            32   29  33 1
            33   31  34 1
            34   26  29 2
            35   28  31 2

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