KEGG   COMPOUND: C17449
Entry
C17449                      Compound                               
Name
Astilbin;
Taxifolin 3-O-rhamnoside
Formula
C21H22O11
Exact mass
450.1162
Mol weight
450.3928
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C17449  Astilbin
Dietary phytochemicals [br08012.html]
 Flavonoids
  C17449
Other DBs
CAS: 29838-67-3
PubChem: 96023799
ChEBI: 27669
KNApSAcK: C00008703
NIKKAJI: J490.151G
LinkDB
KCF data

ATOM        32
            1   C1y C    18.5628  -15.0831
            2   C1y C    18.5628  -16.4809
            3   O2x O    17.3747  -14.3842
            4   C5x C    17.3747  -17.1797
            5   O2a O    19.8207  -17.1797
            6   C8y C    16.1168  -15.0831
            7   C8y C    16.1168  -16.4809
            8   O5x O    17.3748  -18.5775
            9   C1y C    21.0787  -18.0183
            10  C8x C    14.9286  -14.3842
            11  C8y C    14.9286  -17.1797
            12  C1y C    22.3367  -17.3195
            13  O2x O    21.0787  -19.4161
            14  C8y C    13.7406  -15.0831
            15  C8x C    13.7406  -16.4809
            16  O1a O    14.9286  -18.5775
            17  C1y C    23.5247  -18.0183
            18  O1a O    22.3367  -15.9218
            19  C1y C    22.2668  -20.1150
            20  O1a O    12.5525  -14.3842
            21  C1y C    23.5247  -19.4161
            22  O1a O    24.7129  -17.3195
            23  C1a C    22.2668  -21.5128
            24  O1a O    24.7129  -20.1150
            25  C8y C    19.7509  -14.3842
            26  C8x C    19.7509  -12.9865
            27  C8x C    20.9389  -15.0831
            28  C8y C    21.0088  -12.2877
            29  C8x C    22.1969  -14.3842
            30  C8y C    22.1969  -12.9865
            31  O1a O    21.0088  -10.8899
            32  O1a O    23.3850  -12.3576
BOND        35
            1    11  16 1
            2    12  17 1
            3    12  18 1 #Down
            4    13  19 1
            5    14  20 1
            6    17  21 1
            7    17  22 1 #Down
            8    19  23 1 #Down
            9    21  24 1 #Up
            10    6   7 2
            11   14  15 1
            12   19  21 1
            13    1   2 1
            14    1   3 1
            15    2   4 1
            16    2   5 1 #Up
            17    3   6 1
            18    4   7 1
            19    4   8 2
            20    1  25 1 #Down
            21    9   5 1 #Up
            22    6  10 1
            23    7  11 1
            24    9  12 1
            25    9  13 1
            26   10  14 2
            27   11  15 2
            28   25  26 1
            29   25  27 2
            30   26  28 2
            31   27  29 1
            32   28  30 1
            33   28  31 1
            34   30  32 1
            35   29  30 2

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