KEGG   COMPOUND: C11254
Entry
C11254                      Compound                               
Name
Carminate;
Carmine;
Carminic acid;
7-Carboxy-4,6-dihydroxy-8-methyl-9,10-dioxo-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,3-diolate
Formula
C22H20O13
Exact mass
492.0904
Mol weight
492.3864
Structure
Reaction
Enzyme
Brite
Glycosides [BR:br08021]
 C-glycosides
  C11254  Carmine
Other DBs
CAS: 1260-17-9
PubChem: 13431
ChEBI: 78310
NIKKAJI: J107.996D
KCF data

ATOM        35
            1   C1y C    15.0681  -15.9792
            2   O2x O    15.0681  -14.5775
            3   C1y C    13.8766  -13.8766
            4   C1y C    12.6151  -14.5775
            5   C1y C    12.6151  -15.9792
            6   C1y C    13.8066  -16.6800
            7   C1b C    13.8766  -12.4750
            8   O1a O    11.4237  -13.8766
            9   O1a O    11.4237  -16.6800
            10  O1a O    15.0681  -11.7741
            11  O1a O    13.8066  -18.0817
            12  C8y C    16.2595  -16.7501
            13  C8y C    16.2595  -18.1518
            14  C8y C    17.4509  -18.8526
            15  C8y C    17.4509  -16.0493
            16  C8y C    18.7124  -16.7501
            17  C8y C    18.7124  -18.1518
            18  C5x C    19.9039  -18.8526
            19  C5x C    19.9039  -16.0493
            20  C8y C    21.0953  -16.7501
            21  C8y C    21.0953  -18.1518
            22  C8x C    22.2867  -18.8526
            23  C8y C    23.5482  -18.1518
            24  C8y C    23.5482  -16.7501
            25  C8y C    22.3568  -16.0493
            26  O5x O    19.9039  -14.6476
            27  O5x O    19.9039  -20.2543
            28  C1a C    22.3568  -14.6476
            29  C6a C    24.7397  -16.0493
            30  O6a O    25.9311  -16.7501
            31  O6a O    24.7397  -14.6476
            32  O1a O    24.7397  -18.8526
            33  O1a O    17.4509  -14.6476
            34  O1a O    17.4509  -20.2543
            35  O1a O    15.0681  -18.8526
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   1 1
            7     3   7 1 #Up
            8     4   8 1 #Down
            9     5   9 1 #Up
            10    7  10 1
            11    6  11 1 #Down
            12   25  28 1
            13   20  19 1
            14   24  29 1
            15   19  16 1
            16   29  30 1
            17   16  15 2
            18   29  31 2
            19   15  12 1
            20   23  32 1
            21   15  33 1
            22   12  13 2
            23   14  34 1
            24   13  14 1
            25   13  35 1
            26   14  17 2
            27   20  21 2
            28   21  22 1
            29   22  23 2
            30   23  24 1
            31   24  25 2
            32   25  20 1
            33   16  17 1
            34   19  26 2
            35   17  18 1
            36   18  27 2
            37   18  21 1
            38    1  12 1 #Up

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