KEGG   COMPOUND: C10119
Entry
C10119                      Compound                               
Name
Pedalitin;
3',4',5,6-Tetrahydroxy-7-methoxyflavone
Formula
C16H12O7
Exact mass
316.0583
Mol weight
316.2623
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10119  Pedalitin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C10119  Pedalitin
Other DBs
CAS: 22384-63-0
PubChem: 12305
ChEBI: 7947
LIPIDMAPS: LMPK12111231
KNApSAcK: C00003886
3DMET: B03557
NIKKAJI: J16.779G
KCF data

ATOM        23
            1   C8y C    26.4442  -30.0865
            2   C8y C    26.4501  -28.6883
            3   C8y C    25.2442  -30.7913
            4   C8y C    27.6560  -30.7972
            5   O2x O    27.6676  -27.9952
            6   C8x C    25.2442  -27.9893
            7   C8y C    24.0267  -30.0865
            8   O1a O    25.2442  -32.1953
            9   C8x C    28.9435  -30.0981
            10  O5x O    27.6501  -32.2010
            11  C8y C    28.8792  -28.7000
            12  C8y C    24.0267  -28.6883
            13  O1a O    22.8209  -30.7913
            14  C8y C    30.0968  -28.0069
            15  O2a O    22.8209  -27.9893
            16  C8x C    30.0968  -26.6087
            17  C8x C    31.3026  -28.7117
            18  C1a C    21.6033  -28.6883
            19  C8y C    31.3143  -25.9097
            20  C8x C    32.5842  -28.0185
            21  C8y C    32.5201  -26.6204
            22  O1a O    31.3200  -24.5116
            23  O1a O    33.7377  -25.9213
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     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   19  21 1
            21   19  22 1
            22   21  23 1
            23    7  12 1
            24    9  11 2
            25   20  21 2

» Japanese version

  All links  
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
All databases (7)   

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