KEGG   COMPOUND: C09318
Entry
C09318                      Compound                               
Name
Abyssinone I
Formula
C20H18O4
Exact mass
322.1205
Mol weight
322.3545
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C09318  Abyssinone I
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavanones
    C09318  Abyssinone I
Other DBs
CAS: 77263-07-1
PubChem: 11509
ChEBI: 2367
LIPIDMAPS: LMPK12140050
KNApSAcK: C00000935
3DMET: B02858
NIKKAJI: J2.769.194C
KCF data

ATOM        24
            1   C1y C    23.3554  -14.8896
            2   O2x O    22.1518  -14.1885
            3   C1x C    23.3494  -16.2857
            4   C8y C    20.9368  -14.8779
            5   C5x C    22.1401  -16.9810
            6   C8y C    20.9310  -16.2800
            7   C8x C    19.7334  -14.1828
            8   O5x O    22.1344  -18.3772
            9   C8x C    19.7334  -16.9751
            10  C8y C    18.5181  -14.8779
            11  C8x C    18.5181  -16.2800
            12  O1a O    17.3088  -14.1828
            13  C8y C    24.5686  -14.1956
            14  C8x C    25.7740  -14.9013
            15  C8x C    24.5704  -12.8040
            16  C8y C    26.9890  -14.2061
            17  C8x C    25.7857  -12.1087
            18  C8y C    26.9950  -12.8098
            19  C2x C    28.1926  -14.9129
            20  O2x O    28.2043  -12.1204
            21  C2x C    29.4077  -14.2177
            22  C1z C    29.4136  -12.8215
            23  C1a C    30.6286  -12.1321
            24  C1a C    30.6812  -13.6101
BOND        27
            1     5   6 1
            2    10  11 1
            3     1  13 1 #Down
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     3   5 1
            8     4   6 2
            9     4   7 1
            10    5   8 2
            11    6   9 1
            12    7  10 2
            13    9  11 2
            14   10  12 1
            15   13  14 2
            16   13  15 1
            17   14  16 1
            18   15  17 2
            19   16  18 2
            20   16  19 1
            21   18  20 1
            22   19  21 2
            23   20  22 1
            24   22  23 1
            25   22  24 1
            26   17  18 1
            27   21  22 1

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