KEGG   COMPOUND: C09806Help
Entry
C09806                      Compound                               

Name
Neohesperidin;
Hesperetin 7-O-neohesperidoside
Formula
C28H34O15
Exact mass
610.1898
Mol weight
610.5606
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Flavonoid biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C09806  Neohesperidin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavanones
    C09806  Neohesperidin
BRITE hierarchy
Other DBs
CAS: 
13241-33-3
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        43
            1   C8y C    29.5433  -14.6495
            2   C8y C    29.5373  -16.0179
            3   O2x O    30.7361  -13.9654
            4   C8x C    28.3619  -13.9654
            5   C5x C    30.7244  -16.7080
            6   C8y C    28.3619  -16.7022
            7   C1y C    31.9175  -14.6612
            8   C8y C    27.1691  -14.6495
            9   C1x C    31.9116  -16.0296
            10  O5x O    30.7187  -18.0823
            11  C8x C    27.1691  -16.0179
            12  O1a O    28.3679  -18.0764
            13  O2a O    25.9760  -13.9537
            14  C1y C    24.5374  -14.6204
            15  C1y C    24.5374  -15.9888
            16  O2x O    23.3562  -13.9361
            17  O2a O    25.7890  -16.9303
            18  C1y C    23.3562  -16.6788
            19  C1y C    22.1574  -14.6204
            20  C1y C    25.8007  -19.2343
            21  C1y C    22.1574  -15.9888
            22  O1a O    23.3562  -18.0472
            23  C1b C    20.9761  -13.9361
            24  C1y C    26.9878  -19.9184
            25  O2x O    24.6076  -19.9184
            26  O1a O    20.9761  -16.6788
            27  O1a O    19.7890  -14.6204
            28  C1y C    26.9878  -21.2927
            29  O1a O    28.1689  -19.2343
            30  C1y C    24.6076  -21.2927
            31  C1y C    25.8007  -21.9769
            32  O1a O    28.1689  -21.9769
            33  C1a C    23.4205  -21.9769
            34  O1a O    25.8007  -23.3453
            35  C8y C    33.1104  -13.9771
            36  C8x C    33.1104  -12.6087
            37  C8x C    34.2917  -14.6729
            38  C8y C    34.3034  -11.9304
            39  C8x C    35.4788  -13.9946
            40  C8y C    35.4846  -12.6204
            41  O1a O    34.3092  -10.5620
            42  O2a O    36.6776  -11.9421
            43  C1a C    37.8822  -12.6496
BOND        47
            1     5  10 2
            2     6  11 2
            3     6  12 1
            4     8  13 1
            5    14  13 1 #Up
            6    14  15 1
            7    14  16 1
            8    15  17 1 #Down
            9    15  18 1
            10   16  19 1
            11   20  17 1 #Up
            12   18  21 1
            13   18  22 1 #Up
            14   19  23 1 #Up
            15   20  24 1
            16   20  25 1
            17   21  26 1 #Down
            18   23  27 1
            19   24  28 1
            20   24  29 1 #Down
            21   25  30 1
            22   28  31 1
            23   28  32 1 #Down
            24   30  33 1 #Down
            25   31  34 1 #Up
            26    7   9 1
            27    8  11 1
            28   19  21 1
            29   30  31 1
            30    7  35 1 #Down
            31    1   2 2
            32    1   3 1
            33    1   4 1
            34    2   5 1
            35    2   6 1
            36    3   7 1
            37    4   8 2
            38    5   9 1
            39   35  36 1
            40   35  37 2
            41   36  38 2
            42   37  39 1
            43   38  40 1
            44   38  41 1
            45   40  42 1
            46   42  43 1
            47   39  40 2

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