KEGG   COMPOUND: C09755Help
Entry
C09755                      Compound                               

Name
Hesperidin;
Hesperetin 7-O-rutinoside;
Ciratin
Formula
C28H34O15
Exact mass
610.1898
Mol weight
610.5606
Structure
Mol fileKCF fileDB search
Remark
Same as: D01038
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C09755  Hesperidin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavanones
    C09755  Hesperidin
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Hesperidin
    D01038  Hesperidin (JAN)
Pharmaceutical additives in Japan [BR:br08316]
 Favoring agent, Fragrance
  D01038  [008600] Hesperidin
Major components of natural products [BR:br08323]
 Crude drugs
  Citrus unshiu fruit peel
   C09755  Hesperidin
BRITE hierarchy
Other DBs
CAS: 520-26-3
PubChem: 11943
ChEBI: 28775
ChEMBL: CHEMBL2140112 CHEMBL265606 CHEMBL449317
LIPIDMAPS: LMPK12140451
KNApSAcK: C00000970
3DMET: B03253
NIKKAJI: J4.480F
KCF data Show

ATOM        43
            1   C1y C    27.0200  -15.9600
            2   C1y C    27.0200  -17.3600
            3   C1y C    28.2100  -18.0600
            4   C1y C    29.4700  -17.3600
            5   C1y C    29.4700  -15.9600
            6   O2x O    28.2100  -15.2600
            7   O1a O    30.6600  -18.0600
            8   C8x C    31.8500  -17.3600
            9   C8y C    31.8500  -15.9600
            10  O2a O    30.6600  -15.2600
            11  C8y C    33.1100  -18.0600
            12  C8y C    34.3000  -17.3600
            13  C8y C    34.3000  -15.9600
            14  C8x C    33.1100  -15.2600
            15  C5x C    35.4900  -18.0600
            16  C1x C    36.7500  -17.3600
            17  C1y C    36.7500  -15.9600
            18  O2x O    35.4900  -15.2600
            19  O5x O    35.4900  -19.4600
            20  O1a O    33.1100  -19.4600
            21  C1b C    25.8300  -15.2600
            22  C8y C    37.9400  -15.2600
            23  O1a O    25.8300  -18.0600
            24  O1a O    28.2100  -19.4600
            25  O2a O    24.6400  -15.9600
            26  C1y C    23.4500  -15.2600
            27  O2x O    23.4500  -13.8600
            28  C1y C    22.1900  -13.1600
            29  C1y C    21.0000  -13.8600
            30  C1y C    21.0000  -15.2600
            31  C1y C    22.1900  -15.9600
            32  C8x C    39.2000  -15.9600
            33  C8x C    40.3900  -15.2600
            34  C8y C    40.3900  -13.8600
            35  C8y C    39.2000  -13.1600
            36  C8x C    37.9400  -13.8600
            37  O1a O    39.2000  -11.7600
            38  O2a O    41.5800  -13.1600
            39  C1a C    42.8400  -13.8600
            40  O1a O    19.8100  -15.9600
            41  O1a O    22.1900  -17.3600
            42  C1a C    22.1900  -11.7600
            43  O1a O    19.8100  -13.1600
BOND        47
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     8   9 1
            8     9  10 1
            9     5  10 1 #Up
            10    8  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14    9  14 2
            15   12  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   15  19 2
            21   11  20 1
            22    1  21 1 #Up
            23   17  22 1 #Down
            24    4   7 1 #Down
            25    2  23 1 #Down
            26    3  24 1 #Up
            27   21  25 1
            28   26  25 1 #Up
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   26  31 1
            35   22  32 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   22  36 1
            41   35  37 1
            42   34  38 1
            43   38  39 1
            44   30  40 1 #Down
            45   31  41 1 #Down
            46   28  42 1 #Down
            47   29  43 1 #Up

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