KEGG   COMPOUND: C15550
Entry
C15550                      Compound                               
Name
Anthocyanin 3'-O-beta-D-glucoside
Formula
C21H20O8R
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Brite
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated delphinidin
    C15550  Anthocyanin 3'-O-beta-D-glucoside
Other DBs
PubChem: 17396542
ChEBI: 79976
NIKKAJI: J2.794.944D
LinkDB
KCF data

ATOM        30
            1   C8x C    14.4018  -19.4237
            2   C8x C    14.4018  -20.8270
            3   C8x C    15.6169  -21.5284
            4   C8y C    16.8321  -20.8270
            5   C8y C    16.8321  -19.4237
            6   C8x C    15.6169  -18.7222
            7   C8x C    18.0473  -21.5284
            8   C8y C    19.2624  -20.8270
            9   C8y C    19.2624  -19.4237
            10  O2x O    18.0473  -18.7222 #+
            11  C8y C    20.4627  -18.7307
            12  C8x C    21.6536  -19.4182
            13  C8x C    22.8688  -18.7167
            14  C8x C    22.8688  -17.3136
            15  C8y C    21.6778  -16.6260
            16  C8x C    20.4627  -17.3277
            17  O2a O    21.6776  -15.2359
            18  C1y C    20.4535  -14.5293
            19  O2x O    20.4535  -13.1387
            20  C1y C    19.2427  -12.4396
            21  C1y C    18.0318  -13.1387
            22  C1y C    18.0318  -14.5293
            23  C1y C    19.2427  -15.2283
            24  C1b C    19.2427  -11.0416
            25  O1a O    16.8125  -15.2332
            26  O1a O    19.2428  -16.6337
            27  O1a O    16.8157  -12.4365
            28  O1a O    18.0097  -10.3297
            29  O2a O    20.4795  -21.5296
            30  R   R    20.4795  -22.9296
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   15  17 1
            20   18  17 1 #Up
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   20  24 1 #Up
            28   22  25 1 #Up
            29   23  26 1 #Down
            30   21  27 1 #Down
            31   24  28 1
            32    8  29 1
            33   29  30 1

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