KEGG   COMPOUND: C16418
Entry
C16418                      Compound                               
Name
Pinobanksin 3-O-acetate
Formula
C17H14O6
Exact mass
314.079
Mol weight
314.2895
Structure
Reaction
Pathway
map00941  Flavonoid biosynthesis
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C16418  Pinobanksin 3-O-acetate
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Dihyroflavonols
    C16418  Pinobanksin 3-O-acetate
Other DBs
CAS: 52117-69-8
PubChem: 47205716
ChEBI: 80490
KNApSAcK: C00008731
NIKKAJI: J894.646I
LinkDB
KCF data

ATOM        23
            1   C8y C    13.5294  -16.1381
            2   C8x C    13.5294  -17.5414
            3   C8y C    14.7446  -18.2431
            4   C8y C    15.9600  -17.5414
            5   C8y C    15.9600  -16.1381
            6   C8x C    14.7446  -15.4365
            7   C5x C    17.1752  -18.2431
            8   C1y C    18.3905  -17.5414
            9   C1y C    18.3905  -16.1381
            10  O2x O    17.1752  -15.4365
            11  C8y C    19.5909  -15.4450
            12  C8x C    20.7820  -16.1326
            13  C8x C    21.9972  -15.4310
            14  C8x C    21.9972  -14.0277
            15  C8x C    20.8061  -13.3401
            16  C8x C    19.5909  -14.0417
            17  O1a O    12.3141  -15.4365
            18  O1a O    14.7446  -19.6461
            19  O7a O    19.5909  -18.2345
            20  C7a C    19.5909  -19.6378
            21  O6a O    18.3515  -20.3536
            22  C1a C    20.7891  -20.3299
            23  O5x O    17.1752  -19.6463
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Down
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    1  17 1
            20    3  18 1
            21    8  19 1 #Up
            22   19  20 1
            23   20  21 2
            24   20  22 1
            25    7  23 2

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