KEGG   COMPOUND: C10017
Entry
C10017                      Compound                               
Name
Agathisflavone;
6,8''-Biapigenin
Formula
C30H18O10
Exact mass
538.09
Mol weight
538.4579
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1204 Biflavonoids and polyflavonoids
    C10017  Agathisflavone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Biflavonoids and polyflavonoids
    C10017  Agathisflavone
Other DBs
CAS: 28441-98-7
PubChem: 12203
ChEBI: 2512
LIPIDMAPS: LMPK12040008
KNApSAcK: C00001014
3DMET: B03461
NIKKAJI: J21.541D
LinkDB
KCF data

ATOM        40
            1   C8y C    25.2221  -16.2915
            2   C8y C    25.2221  -17.6948
            3   C8y C    26.4267  -15.5899
            4   C8y C    24.0118  -15.5899
            5   C8y C    24.0118  -18.3905
            6   O2x O    26.4267  -18.3905
            7   C8y C    27.6428  -16.2915
            8   C8y C    26.4267  -14.1923
            9   C8x C    22.8014  -16.2915
            10  O1a O    24.0118  -14.1923
            11  C8y C    24.0118  -19.7881
            12  C8y C    22.8014  -17.6948
            13  C8y C    26.4267  -19.7881
            14  C8y C    28.8415  -15.5899
            15  O1a O    27.6428  -17.6948
            16  C8x C    27.6428  -13.4966
            17  O1a O    25.1987  -13.3391
            18  C8x C    25.2221  -20.4955
            19  O5x O    22.7957  -20.4955
            20  O1a O    21.5736  -18.4022
            21  C8y C    27.6194  -20.4955
            22  C8y C    28.8415  -14.1923
            23  C8y C    30.0460  -16.2915
            24  C8x C    28.8415  -19.7881
            25  C8x C    27.6194  -21.8871
            26  O2x O    30.0460  -13.4966
            27  C8x C    31.2681  -15.5899
            28  O5x O    30.0460  -17.6948
            29  C8x C    30.0460  -20.4955
            30  C8x C    28.8415  -22.5888
            31  C8y C    31.2681  -14.1923
            32  C8y C    30.0460  -21.8871
            33  C8y C    32.4725  -13.4966
            34  O1a O    31.2796  -22.5888
            35  C8x C    33.6828  -14.1923
            36  C8x C    32.4725  -12.0992
            37  C8x C    34.8932  -13.4966
            38  C8x C    33.6828  -11.3976
            39  C8y C    34.8932  -12.0992
            40  O1a O    36.1210  -11.3742
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17   11  18 1
            18   11  19 2
            19   12  20 1
            20   13  21 1
            21   14  22 1
            22   14  23 1
            23   21  24 1
            24   21  25 2
            25   22  26 1
            26   23  27 1
            27   23  28 2
            28   24  29 2
            29   25  30 1
            30   26  31 1
            31   29  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 2
            35   33  36 1
            36   35  37 1
            37   36  38 2
            38   37  39 2
            39   39  40 1
            40    9  12 2
            41   13  18 2
            42   16  22 2
            43   27  31 2
            44   30  32 2
            45   38  39 1

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