KEGG   COMPOUND: C04527
Entry
C04527                      Compound                               
Name
Corniculatusin;
3,3',4',5,7-Pentahydroxy-8-methoxyflavone
Formula
C16H12O8
Exact mass
332.0532
Mol weight
332.2617
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C04527  Corniculatusin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C04527  Corniculatusin
Other DBs
CAS: 27500-34-1
PubChem: 7138
ChEBI: 28018
LIPIDMAPS: LMPK12113234
KNApSAcK: C00004724
3DMET: B00728
NIKKAJI: J94.555B
KCF data

ATOM        24
            1   C8y C    16.8000  -16.3800
            2   C8y C    16.8000  -17.7800
            3   O2x O    18.0600  -15.6800
            4   C8y C    15.6100  -15.6800
            5   C8y C    18.0600  -18.4800
            6   C8y C    15.6100  -18.4800
            7   C8y C    19.3200  -16.3800
            8   C8y C    14.4200  -16.3800
            9   O2a O    15.6100  -14.2800
            10  C8y C    19.3200  -17.7800
            11  O5x O    18.0600  -19.8100
            12  C8x C    14.4200  -17.7800
            13  O1a O    15.6100  -19.8100
            14  C8y C    20.5100  -15.6800
            15  O1a O    13.1600  -15.6800
            16  C1a C    14.4200  -13.5800
            17  O1a O    20.5100  -18.4800
            18  C8x C    20.5100  -14.2800
            19  C8x C    21.7000  -16.3800
            20  C8y C    21.7000  -13.5800
            21  C8x C    22.9600  -15.6800
            22  C8y C    22.9600  -14.2800
            23  O1a O    21.7000  -12.1800
            24  O1a O    24.1500  -13.5800
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   14  18 1
            18   14  19 2
            19   18  20 2
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 1
            24    7  10 2
            25    8  12 2
            26   21  22 2

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