KEGG   COMPOUND: C12141Help
Entry
C12141                      Compound                               

Name
Peonidin 3-O-glucoside;
Peonidin-3-glucoside
Formula
C22H23O11
Exact mass
463.124
Mol weight
463.4114
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Other DBs
CAS: 
68795-37-9
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   O2a O    26.9205  -33.6927
            2   C1y C    28.2308  -34.4614
            3   O2x O    28.2308  -35.8532
            4   C1y C    29.4422  -33.7626
            5   C1y C    29.4422  -36.5520
            6   C1y C    30.6417  -34.4614
            7   O1a O    29.4422  -32.5109
            8   C1y C    30.6417  -35.8532
            9   C1b C    29.4422  -37.9439
            10  O1a O    31.8529  -33.7626
            11  O1a O    31.8529  -36.5462
            12  O1a O    28.2368  -38.6427
            13  C8y C    25.7267  -31.5905
            14  C8y C    26.9438  -30.8917
            15  O2x O    24.5155  -30.8860 #+
            16  C8y C    25.7910  -32.9939
            17  C8x C    28.1493  -31.6022
            18  C8x C    26.9438  -29.4941
            19  C8y C    23.2984  -31.5789
            20  C8x C    24.5039  -33.6811
            21  C8y C    29.3664  -30.9033
            22  C8x C    28.1609  -28.7952
            23  C8y C    23.2925  -32.9822
            24  C8x C    22.0871  -30.8800
            25  C8y C    29.3721  -29.5000
            26  O2a O    30.5718  -31.6022
            27  C8y C    22.0871  -33.6811
            28  C8y C    20.8818  -31.5789
            29  O1a O    30.5776  -28.8069
            30  C1a C    31.7830  -30.9093
            31  C8x C    20.8818  -32.9822
            32  O1a O    22.0930  -35.0729
            33  O1a O    19.6704  -30.8860
BOND        36
            1     3   5 1
            2     4   6 1
            3     4   7 1 #Down
            4     5   8 1
            5     5   9 1 #Up
            6     6  10 1 #Up
            7     8  11 1 #Down
            8     9  12 1
            9     6   8 1
            10    2   1 1 #Up
            11    2   3 1
            12    2   4 1
            13   13  14 1
            14   13  15 2
            15   13  16 1
            16   14  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   16   1 1
            21   17  21 1
            22   18  22 2
            23   19  23 2
            24   19  24 1
            25   21  25 2
            26   21  26 1
            27   23  27 1
            28   24  28 2
            29   25  29 1
            30   26  30 1
            31   27  31 2
            32   27  32 1
            33   28  33 1
            34   20  23 1
            35   22  25 1
            36   28  31 1

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