KEGG   COMPOUND: C10036
Entry
C10036                      Compound                               
Name
Datiscetin;
3,5,7,2'-Tetrahydroxyflavone
Formula
C15H10O6
Exact mass
286.0477
Mol weight
286.2363
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10036  Datiscetin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10036  Datiscetin
Other DBs
CAS: 480-15-9
PubChem: 12222
ChEBI: 75107
LIPIDMAPS: LMPK12111622
KNApSAcK: C00004562
PDB-CCD: CC6[PDBj]
3DMET: B03479
NIKKAJI: J6.162J
LinkDB
KCF data

ATOM        21
            1   C8y C    23.6442  -18.5606
            2   C8y C    23.6501  -17.1621
            3   C8y C    24.8563  -19.2657
            4   C8y C    22.4439  -19.2598
            5   O2x O    24.8680  -16.4628
            6   C8x C    22.4439  -16.4571
            7   C8y C    26.1442  -18.5722
            8   O5x O    24.8504  -20.6641
            9   C8x C    21.2261  -18.5606
            10  O1a O    22.4439  -20.6583
            11  C8y C    26.0799  -17.1737
            12  C8y C    21.2261  -17.1621
            13  O1a O    27.2861  -19.2772
            14  C8y C    27.2978  -16.4745
            15  O1a O    20.0199  -16.4571
            16  C8y C    28.5040  -17.1854
            17  C8x C    27.2978  -15.0760
            18  C8x C    29.7159  -16.4862
            19  O1a O    28.4981  -18.3739
            20  C8x C    28.5156  -14.3827
            21  C8x C    29.7218  -15.0877
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   16  19 1
            19   17  20 2
            20   18  21 2
            21    7  11 2
            22    9  12 1
            23   20  21 1

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