KEGG   COMPOUND: C08604Help
Entry
C08604                      Compound                               

Name
Chrysanthemin;
Cyanidin 3-O-glucoside;
Cyanidin 3-O-beta-D-glucoside
Formula
C21H21O11
Exact mass
449.1084
Mol weight
449.3848
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Enzyme
2.3.1.171       2.3.1.215       2.4.1.115       2.4.1.254       
2.4.1.297       2.4.1.298       2.4.1.299       2.4.1.300       
2.4.1.-         2.4.2.51
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C08604  Chrysanthemin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C08604  Chrysanthemin
BRITE hierarchy
Other DBs
CAS: 
7084-24-4
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C8y C    28.8687  -14.8394
            2   C8y C    28.8628  -16.2401
            3   C8y C    30.0885  -14.1391
            4   O2x O    27.6607  -14.1274 #+
            5   O2a O    29.9658  -16.8761
            6   C8x C    27.6490  -16.9345
            7   C8x C    31.3023  -14.8452
            8   C8x C    30.0885  -12.7327
            9   C8y C    26.4409  -14.8277
            10  C1y C    31.2789  -17.6465
            11  C8y C    26.4350  -16.2284
            12  C8y C    32.5220  -14.1448
            13  C8x C    31.3082  -12.0324
            14  C8x C    25.2270  -14.1217
            15  O2x O    31.2789  -19.0412
            16  C1y C    32.4929  -16.9461
            17  C8y C    25.2270  -16.9287
            18  C8y C    32.5278  -12.7384
            19  O1a O    33.8001  -14.7052
            20  C8y C    24.0131  -14.8277
            21  C1y C    32.4929  -19.7415
            22  C1y C    33.6950  -17.6465
            23  O1a O    32.4929  -15.5514
            24  C8x C    24.0131  -16.2284
            25  O1a O    25.2270  -18.3234
            26  O1a O    33.7358  -12.0440
            27  O1a O    22.8051  -14.1333
            28  C1y C    33.6950  -19.0412
            29  C1b C    32.4929  -21.1364
            30  O1a O    34.9088  -16.9461
            31  O1a O    34.9088  -19.7358
            32  O1a O    31.2848  -21.8368
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9    10   5 1 #Up
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   11  17 1
            17   12  18 2
            18   12  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 1
            22   16  23 1 #Down
            23   17  24 2
            24   17  25 1
            25   18  26 1
            26   20  27 1
            27   21  28 1
            28   21  29 1 #Up
            29   22  30 1 #Up
            30   28  31 1 #Down
            31   29  32 1
            32    9  11 2
            33   13  18 1
            34   20  24 1
            35   22  28 1

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