KEGG   COMPOUND: C10185
Entry
C10185                      Compound                               
Name
Sexangularetin;
Herbacetin 8-methyl ether
Formula
C16H12O7
Exact mass
316.0583
Mol weight
316.2623
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10185  Sexangularetin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10185  Sexangularetin
Other DBs
CAS: 571-74-4
PubChem: 12371
ChEBI: 9131
LIPIDMAPS: LMPK12113150
KNApSAcK: C00001100
3DMET: B03618
NIKKAJI: J688.363J
LinkDB
KCF data

ATOM        23
            1   C8y C    23.0080  -17.1733
            2   C8y C    23.0023  -18.5720
            3   C8y C    21.7959  -16.4682
            4   O2x O    24.2260  -16.4740
            5   C8y C    24.2144  -19.2771
            6   C8y C    21.7959  -19.2713
            7   C8y C    20.5779  -17.1733
            8   O2a O    21.7959  -15.0696
            9   C8y C    25.4266  -17.1850
            10  C8y C    25.4207  -18.5836
            11  O5x O    24.2027  -20.6757
            12  C8x C    20.5779  -18.5720
            13  O1a O    21.8017  -20.6700
            14  O1a O    19.3657  -16.4682
            15  C1a C    20.5896  -14.3703
            16  C8y C    26.6444  -16.4857
            17  O1a O    26.6329  -19.2887
            18  C8x C    27.8508  -17.1966
            19  C8x C    26.6504  -15.0870
            20  C8x C    29.0688  -16.4973
            21  C8x C    27.8624  -14.3936
            22  C8y C    29.0747  -15.0987
            23  O1a O    30.2927  -14.4052
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   16  18 2
            18   16  19 1
            19   18  20 1
            20   19  21 2
            21   20  22 2
            22   22  23 1
            23    7  12 1
            24    9  10 2
            25   21  22 1

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