KEGG   COMPOUND: C11254Help
Entry
C11254                      Compound                               

Name
Carmine;
Carminic acid
Formula
C22H20O13
Exact mass
492.0904
Mol weight
492.3864
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
1260-17-9
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    25.6226  -20.2677
            2   C8y C    25.6226  -21.6688
            3   C8y C    26.8399  -22.3727
            4   C8y C    26.8399  -19.5707
            5   C8y C    28.0499  -20.2677
            6   C8y C    28.0439  -21.6688
            7   C5x C    29.2553  -22.3779
            8   C5x C    29.2671  -19.5759
            9   C8y C    30.4784  -20.2780
            10  C8y C    30.4659  -21.6755
            11  C8x C    31.6705  -22.3884
            12  C8y C    32.8810  -21.6973
            13  C8y C    32.9006  -20.2998
            14  C8y C    31.6957  -19.5938
            15  O5x O    29.2554  -18.1696
            16  O5x O    29.2414  -23.7738
            17  C1a C    31.6844  -18.1907
            18  C6a C    34.0993  -19.5918
            19  O6a O    35.3103  -20.2888
            20  O6a O    34.0922  -18.1907
            21  O1a O    34.0851  -22.4009
            22  O1a O    26.8416  -18.1696
            23  O1a O    26.8265  -23.7738
            24  O1a O    24.4045  -22.3658
            25  C1y C    24.4130  -19.5617
            26  O2x O    24.4278  -18.1574
            27  C1y C    23.2253  -17.4392
            28  C1y C    22.0010  -18.1318
            29  C1y C    21.9861  -19.5361
            30  C1y C    23.1957  -20.2474
            31  C1b C    23.2297  -16.0342
            32  O1a O    20.7915  -17.4064
            33  O1a O    20.7582  -20.2084
            34  O1a O    24.4398  -15.3470
            35  O1a O    23.1643  -21.6397
BOND        38
            1    14  17 1
            2     9   8 1
            3    13  18 1
            4     8   5 1
            5    18  19 1
            6     5   4 2
            7    18  20 2
            8     4   1 1
            9    12  21 1
            10    4  22 1
            11    1   2 2
            12    3  23 1
            13    2   3 1
            14    2  24 1
            15    3   6 2
            16    9  10 2
            17   10  11 1
            18   11  12 2
            19   12  13 1
            20   13  14 2
            21   25  26 1
            22   26  27 1
            23   27  28 1
            24   28  29 1
            25   29  30 1
            26   30  25 1
            27   14   9 1
            28   27  31 1 #Up
            29    5   6 1
            30   28  32 1 #Down
            31    8  15 2
            32   29  33 1 #Up
            33   25   1 1 #Down
            34    6   7 1
            35    7  16 2
            36   31  34 1
            37    7  10 1
            38   30  35 1 #Down

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