KEGG   COMPOUND: C10175
Entry
C10175                      Compound                               

Name
Quercetin 3-(2G-xylosylrutinoside)
Formula
C32H38O20
Exact mass
742.1956
Mol weight
742.6321
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10175  Quercetin 3-(2G-xylosylrutinoside)
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10175  Quercetin 3-(2G-xylosylrutinoside)
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C10175  Quercetin 3-(2G-xylosylrutinoside)
Other DBs
CAS: 129235-39-8
PubChem: 12361
ChEMBL: CHEMBL4090909
KNApSAcK: C00005452
3DMET: B03608
NIKKAJI: J452.037H
LinkDB
KCF data

ATOM        52
            1   C1x C    33.8540  -18.6845
            2   C1y C    35.0502  -17.9755
            3   C1y C    35.0446  -16.5745
            4   C1y C    33.8371  -15.8911
            5   C1y C    32.6242  -16.5957
            6   O2x O    32.6357  -17.9880
            7   O1a O    36.2675  -18.6687
            8   O1a O    36.2470  -15.8708
            9   O1a O    33.8224  -14.4954
            10  O2a O    31.1628  -15.7190
            11  C1y C    27.5516  -17.8035
            12  C1y C    28.7577  -18.4939
            13  O2x O    27.5521  -16.4189
            14  C1b C    26.3514  -18.5052
            15  C1y C    29.9578  -17.8069
            16  O1a O    28.7572  -19.8932
            17  C1y C    28.7564  -15.7152
            18  O2a O    26.3458  -19.8867
            19  C1y C    29.9556  -16.4127
            20  O1a O    31.1672  -18.4923
            21  C1y C    26.4028  -21.5875
            22  C1y C    27.6022  -22.2851
            23  O2x O    25.1964  -22.2834
            24  C1y C    27.6020  -23.6712
            25  O1a O    28.8068  -21.5829
            26  C1y C    25.1979  -23.6758
            27  C1y C    26.4044  -24.3663
            28  O1a O    28.8136  -24.3646
            29  C1a C    23.9921  -24.3636
            30  O1a O    26.4099  -25.7544
            31  O2a O    28.7530  -14.2975
            32  C8y C    27.5034  -12.2241
            33  C8y C    27.4976  -13.6076
            34  C8y C    28.7070  -11.5481
            35  O2x O    26.3009  -11.5294
            36  C8y C    26.2892  -14.2963
            37  C8x C    28.7070  -10.1705
            38  C8x C    29.8908  -12.2417
            39  C8y C    25.1043  -12.2183
            40  C8y C    25.0983  -13.5960
            41  O5x O    26.3533  -15.6797
            42  C8y C    29.9024   -9.4748
            43  C8x C    31.1005  -11.5598
            44  C8x C    23.9134  -11.5234
            45  C8y C    23.9134  -14.2904
            46  C8y C    31.1062  -10.1763
            47  O1a O    29.9084   -8.0942
            48  C8y C    22.7238  -12.2183
            49  C8x C    22.7238  -13.5960
            50  O1a O    23.9193  -15.6738
            51  O1a O    32.3017   -9.4864
            52  O1a O    21.5143  -11.5234
BOND        57
            1    21  22 1
            2    21  23 1
            3    22  24 1
            4    22  25 1 #Down
            5    23  26 1
            6    24  27 1
            7    24  28 1 #Down
            8    26  29 1 #Down
            9    27  30 1 #Up
            10   17  19 1
            11   26  27 1
            12   17  31 1 #Up
            13    1   2 1
            14    2   3 1
            15    3   4 1
            16    4   5 1
            17    5   6 1
            18    6   1 1
            19    2   7 1 #Down
            20    3   8 1 #Up
            21    4   9 1 #Down
            22    5  10 1 #Up
            23   11  12 1
            24   11  13 1
            25   11  14 1 #Up
            26   12  15 1
            27   12  16 1 #Down
            28   13  17 1
            29   14  18 1
            30   15  19 1
            31   15  20 1 #Up
            32   21  18 1 #Up
            33   19  10 1 #Down
            34   34  37 1
            35   34  38 2
            36   35  39 1
            37   36  40 1
            38   36  41 2
            39   37  42 2
            40   38  43 1
            41   39  44 1
            42   40  45 1
            43   42  46 1
            44   42  47 1
            45   44  48 2
            46   45  49 2
            47   45  50 1
            48   46  51 1
            49   48  52 1
            50   39  40 2
            51   43  46 2
            52   48  49 1
            53   33  31 1
            54   32  33 2
            55   32  34 1
            56   32  35 1
            57   33  36 1

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