KEGG   COMPOUND: C09967
Entry
C09967                      Compound                               

Name
Taxifolin 3-O-acetate
Formula
C17H14O8
Exact mass
346.0689
Mol weight
346.2883
Structure
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Dihyroflavonols
    C09967  Taxifolin 3-O-acetate
Other DBs
CAS: 78834-97-6
PubChem: 12153
ChEBI: 9416
KNApSAcK: C00008743
3DMET: B03419
NIKKAJI: J451.835G
KCF data

ATOM        25
            1   C1y C    28.2334  -28.3271
            2   C1y C    28.2276  -29.7306
            3   O2x O    27.0219  -27.6262
            4   C5x C    27.0102  -30.4212
            5   O7a O    29.4377  -30.4329
            6   C8y C    25.8057  -28.3214
            7   C8y C    25.7999  -29.7189
            8   O5x O    27.0044  -31.8246
            9   C8x C    24.6013  -27.6204
            10  C8y C    24.6013  -30.4212
            11  C8y C    23.3852  -28.3214
            12  C8x C    23.3852  -29.7189
            13  O1a O    24.6013  -31.8188
            14  O1a O    22.1690  -27.6204
            15  C8y C    29.4477  -27.6301
            16  C8x C    29.4494  -26.2345
            17  C8x C    30.6538  -28.3448
            18  C8y C    30.6655  -25.5438
            19  C8x C    31.8700  -27.6496
            20  C8y C    31.8758  -26.2462
            21  O1a O    30.6713  -24.1404
            22  O1a O    33.0919  -25.5496
            23  C7a C    29.4377  -31.8329
            24  O6a O    28.2426  -32.5234
            25  C1a C    30.6819  -32.5510
BOND        27
            1     6   9 1
            2     7  10 1
            3     9  11 2
            4    10  12 2
            5    10  13 1
            6    11  14 1
            7     6   7 2
            8    11  12 1
            9     1  15 1 #Down
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1 #Up
            14    3   6 1
            15    4   7 1
            16    4   8 2
            17   15  16 1
            18   15  17 2
            19   16  18 2
            20   17  19 1
            21   18  20 1
            22   18  21 1
            23   20  22 1
            24   19  20 2
            25    5  23 1
            26   23  24 2
            27   23  25 1

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