KEGG   COMPOUND: C04858Help
Entry
C04858                      Compound                               

Name
Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside];
7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone;
Apiin;
7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;
Apioside
Formula
C26H28O14
Exact mass
564.1479
Mol weight
564.4921
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Flavone and flavonol biosynthesis
Enzyme
2.3.1.115       2.4.2.25
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C04858  Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]
BRITE hierarchy
Other DBs
CAS: 
26544-34-3
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        40
            1   C8y C    27.7077  -14.4773
            2   C8x C    27.7077  -15.8360
            3   C8y C    28.8871  -16.5153
            4   C8x C    28.8871  -13.7979
            5   C8y C    30.0597  -14.4773
            6   C8y C    30.0540  -15.8360
            7   C8y C    31.2277  -16.5202
            8   C8x C    32.4072  -15.8460
            9   C8y C    32.4129  -14.4873
            10  O2x O    31.2392  -13.8029
            11  C8y C    33.5924  -13.8129
            12  C8x C    34.7627  -14.5005
            13  C8x C    36.0122  -13.8263
            14  C8y C    35.9479  -12.4676
            15  C8x C    34.7742  -11.7832
            16  C8x C    33.5947  -12.4576
            17  O5x O    31.2219  -17.8789
            18  O1a O    28.8903  -17.8740
            19  O2a O    26.5313  -13.7973
            20  O1a O    37.1274  -11.7932
            21  C1y C    25.3544  -14.4760
            22  O2x O    24.1837  -13.7988
            23  C1y C    23.0067  -14.4776
            24  C1y C    23.0060  -15.8363
            25  C1y C    24.1822  -16.5161
            26  C1y C    25.3592  -15.8374
            27  C1b C    21.8303  -13.7976
            28  O1a O    21.8290  -16.5150
            29  O1a O    24.1815  -17.8748
            30  O2a O    26.5369  -16.5150
            31  C1y C    26.5754  -19.6923
            32  C1y C    26.1568  -20.9893
            33  O2x O    25.4775  -18.8963
            34  C1x C    24.3754  -19.6979
            35  C1z C    24.7981  -20.9893
            36  O1a O    26.9565  -22.0876
            37  O1a O    24.0007  -22.0893
            38  C1b C    23.6111  -20.3098
            39  O1a O    23.6060  -18.9512
            40  O1a O    20.6534  -14.4763
BOND        44
            1     1  19 1
            2     8   9 2
            3    14  20 1
            4     9  10 1
            5    21  19 1 #Up
            6    10   5 1
            7     9  11 1
            8     1   2 2
            9     2   3 1
            10   21  22 1
            11   22  23 1
            12   23  24 1
            13   24  25 1
            14   25  26 1
            15   26  21 1
            16    3   6 2
            17   23  27 1 #Up
            18    5   4 2
            19   24  28 1 #Down
            20    4   1 1
            21   25  29 1 #Up
            22   11  12 2
            23   26  30 1 #Down
            24   12  13 1
            25   31  30 1 #Up
            26   13  14 2
            27   14  15 1
            28   15  16 2
            29   16  11 1
            30   32  31 1
            31   31  33 1
            32   33  34 1
            33   34  35 1
            34   35  32 1
            35    5   6 1
            36   32  36 1 #Down
            37    7  17 2
            38   35  37 1 #Down
            39    6   7 1
            40   35  38 1 #Up
            41    3  18 1
            42   38  39 1
            43    7   8 1
            44   27  40 1

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