KEGG   COMPOUND: C16422
Entry
C16422                      Compound                               

Name
Hesperetin 7-O-glucoside
Formula
C22H24O11
Exact mass
464.1319
Mol weight
464.4194
Structure
Reaction
Pathway
map00941  Flavonoid biosynthesis
Enzyme
2.4.1.185       2.4.1.236
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C16422  Hesperetin 7-O-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavanones
    C16422  Hesperetin 7-O-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavanones
    C16422  Hesperetin 7-O-glucoside
Other DBs
CAS: 31712-49-9
PubChem: 47205720
ChEBI: 59015
ChEMBL: CHEMBL4460302
KNApSAcK: C00008297
NIKKAJI: J667.152G
KCF data

ATOM        33
            1   C8y C    12.6700  -17.9900
            2   C8x C    12.6700  -19.3900
            3   C8y C    13.8824  -20.0900
            4   C8y C    15.0949  -19.3900
            5   C8y C    15.0949  -17.9900
            6   C8x C    13.8824  -17.2900
            7   C5x C    16.3073  -20.0900
            8   C1x C    17.5197  -19.3900
            9   C1y C    17.5197  -17.9900
            10  O2x O    16.3073  -17.2900
            11  C8y C    18.7173  -17.2985
            12  C8x C    19.9056  -17.9845
            13  C8y C    21.1180  -17.2845
            14  C8y C    21.1180  -15.8845
            15  C8x C    19.9297  -15.1985
            16  C8x C    18.7173  -15.8985
            17  O2a O    22.3444  -15.1763
            18  C1a C    23.5519  -15.8733
            19  O1a O    22.3492  -17.9955
            20  O5x O    16.3073  -21.4900
            21  O1a O    13.8824  -21.4898
            22  O2a O    11.4576  -17.2900
            23  C1y C    10.2621  -17.9804
            24  O2x O     9.0747  -17.2949
            25  C1y C     7.8623  -17.9950
            26  C1y C     7.8624  -19.3950
            27  C1y C     9.0497  -20.0804
            28  C1y C    10.2621  -19.3804
            29  C1b C     6.6310  -17.2840
            30  O1a O     9.0499  -21.4899
            31  O1a O     6.6355  -20.1036
            32  O1a O    11.4996  -20.0949
            33  O1a O     5.4303  -17.9773
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Down
            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   14  17 1
            20   17  18 1
            21   13  19 1
            22    7  20 2
            23    3  21 1
            24    1  22 1
            25   23  22 1 #Up
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32   25  29 1 #Up
            33   27  30 1 #Up
            34   26  31 1 #Down
            35   28  32 1 #Down
            36   29  33 1

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