KEGG   COMPOUND: C09617
Entry
C09617                      Compound                               
Name
Catechin 7-O-beta-D-xyloside
Formula
C20H22O10
Exact mass
422.1213
Mol weight
422.3827
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1202 Flavans, Flavanols and Leucoanthocyanidins
    C09617  Catechin 7-O-beta-D-xyloside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavan 3-ols
    C09617  Catechin 7-O-beta-D-xyloside
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavans
    C09617  Catechin 7-O-beta-D-xyloside
Other DBs
CAS: 65597-47-9
PubChem: 11808
ChEBI: 28117
LIPIDMAPS: LMPK12020046
KNApSAcK: C00008851
3DMET: B03133
NIKKAJI: J589.604E
LinkDB
KCF data

ATOM        30
            1   C1y C    29.5472  -20.5578
            2   C8y C    30.7566  -19.8595
            3   C8y C    27.1187  -20.5521
            4   C8y C    27.1187  -21.9472
            5   O2x O    28.3388  -19.8573
            6   C8x C    25.9160  -19.8516
            7   C1x C    28.3271  -22.6478
            8   C8y C    25.9160  -22.6478
            9   C8y C    24.7076  -20.5521
            10  C1y C    29.5412  -21.9589
            11  C8x C    24.7076  -21.9472
            12  O1a O    25.9160  -24.0372
            13  O2a O    23.5051  -19.8573
            14  O1a O    30.7380  -22.6595
            15  C1y C    22.0632  -20.5404
            16  C1y C    22.0632  -21.9298
            17  O2x O    20.8665  -19.8516
            18  C1y C    20.8665  -22.6303
            19  O1a O    23.2657  -22.6303
            20  C1x C    19.6581  -20.5404
            21  C1y C    19.6581  -21.9298
            22  O1a O    20.8665  -24.0197
            23  O1a O    18.4554  -22.6303
            24  C8x C    30.7556  -18.4738
            25  C8x C    31.9640  -20.5695
            26  C8y C    31.9698  -17.7733
            27  C8x C    33.1782  -19.8749
            28  C8y C    33.1782  -18.4796
            29  O1a O    31.9698  -16.3782
            30  O1a O    34.3866  -17.7791
BOND        33
            1     5   1 1
            2     6   9 2
            3     7  10 1
            4     8  11 2
            5     8  12 1
            6     9  13 1
            7    10  14 1 #Up
            8    15  13 1 #Up
            9    15  16 1
            10   15  17 1
            11   16  18 1
            12   16  19 1 #Down
            13   17  20 1
            14   18  21 1
            15   18  22 1 #Up
            16   21  23 1 #Down
            17    1  10 1
            18    9  11 1
            19   20  21 1
            20    1   2 1 #Down
            21    3   4 2
            22    3   5 1
            23    3   6 1
            24    4   7 1
            25    4   8 1
            26    2  24 1
            27    2  25 2
            28   24  26 2
            29   25  27 1
            30   26  28 1
            31   26  29 1
            32   28  30 1
            33   27  28 2

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