KEGG   COMPOUND: C12639
Entry
C12639                      Compound                               
Name
Quercimeritrin;
Quercetin 7-O-beta-D-glucoside
Formula
C21H20O12
Exact mass
464.0955
Mol weight
464.3763
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C12639  Quercetin 7-O-beta-D-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C12639  Quercimeritrin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C12639  Quercimeritrin
Other DBs
CAS: 491-50-9
PubChem: 583029
ChEBI: 28529
LIPIDMAPS: LMPK12112179
KNApSAcK: C00005382
NIKKAJI: J53.033F
KCF data

ATOM        33
            1   C8y C    27.6564  -16.5897
            2   C8x C    27.6564  -17.9901
            3   C8y C    28.8722  -18.6904
            4   C8x C    28.8722  -15.8895
            5   C8y C    30.0808  -16.5897
            6   C8y C    30.0749  -17.9901
            7   C8y C    31.2847  -18.6955
            8   C8y C    32.5005  -18.0005
            9   C8y C    32.5066  -16.6001
            10  O2x O    31.2968  -15.8947
            11  C8y C    33.7223  -15.9051
            12  C8x C    34.9284  -16.6136
            13  C8y C    36.1442  -15.9187
            14  C8y C    36.1503  -14.5182
            15  C8x C    34.9405  -13.8129
            16  C8x C    33.7245  -14.5079
            17  O1a O    37.3660  -13.8233
            18  O1a O    33.7103  -18.7058
            19  O5x O    31.2788  -20.0959
            20  O1a O    28.8056  -20.0908
            21  O2a O    26.4441  -15.8888
            22  O1a O    37.3540  -16.6240
            23  C1y C    25.2309  -16.5885
            24  O2x O    24.0241  -15.8905
            25  C1y C    22.8109  -16.5900
            26  C1y C    22.8102  -17.9905
            27  C1y C    24.0228  -18.6914
            28  C1y C    25.2360  -17.9917
            29  C1b C    21.5985  -15.8891
            30  O1a O    21.5970  -18.6900
            31  O1a O    24.0219  -20.0918
            32  O1a O    26.4499  -18.6900
            33  O1a O    20.3853  -16.5887
BOND        36
            1    15  16 2
            2    16  11 1
            3     5   6 1
            4    14  17 1
            5     6   7 1
            6     8  18 1
            7     7   8 1
            8     7  19 2
            9     8   9 2
            10    3  20 1
            11    9  10 1
            12    1  21 1
            13   10   5 1
            14   13  22 1
            15   23  21 1 #Up
            16    9  11 1
            17    1   2 2
            18    2   3 1
            19    3   6 2
            20    5   4 2
            21   23  24 1
            22   24  25 1
            23   25  26 1
            24   26  27 1
            25   27  28 1
            26   28  23 1
            27    4   1 1
            28   25  29 1 #Up
            29   11  12 2
            30   26  30 1 #Down
            31   12  13 1
            32   27  31 1 #Up
            33   13  14 2
            34   28  32 1 #Down
            35   14  15 1
            36   29  33 1

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