15382687
  CDK     1106202311

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.2784   -0.2246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    1.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360    2.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360   -1.0782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508    0.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -2.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    2.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    1.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -1.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    2.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263    2.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -2.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -2.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2 14  1  0  0  0  0 
  2 25  1  0  0  0  0 
  3 16  1  0  0  0  0 
  3 26  1  0  0  0  0 
  4 18  1  0  0  0  0 
  4 27  1  0  0  0  0 
  5 17  1  0  0  0  0 
  6 22  1  0  0  0  0 
  6 28  1  0  0  0  0 
  7 23  1  0  0  0  0 
  7 29  1  0  0  0  0 
  8 15  2  0  0  0  0 
  9 24  1  0  0  0  0 
  9 30  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 15  1  0  0  0  0 
 10 16  1  0  0  0  0 
 11 17  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 19  2  0  0  0  0 
 13 20  1  0  0  0  0 
 14 15  1  0  0  0  0 
 16 21  2  0  0  0  0 
 17 18  2  0  0  0  0 
 18 21  1  0  0  0  0 
 19 23  1  0  0  0  0 
 20 22  2  0  0  0  0 
 22 24  1  0  0  0  0 
 23 24  2  0  0  0  0 
M  END
> <ID>
CHEBI:166623

> <NAME>
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone

> <STAR>
2

> <IUPAC_NAME>
8-hydroxy-3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

> <FORMULA>
C21H22O9

> <MASS>
418.398

> <MONOISOTOPIC_MASS>
418.12638

> <CHARGE>
0

> <SMILES>
O1C2=C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C(OC)=C3)C(OC)=CC(OC)=C2O

> <INCHI>
InChI=1S/C21H22O9/c1-24-11-9-12(25-2)16(22)20-15(11)17(23)21(29-6)18(30-20)10-7-13(26-3)19(28-5)14(8-10)27-4/h7-9,22H,1-6H3

> <INCHIKEY>
VZZSHWGQMLXLPF-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12113280

$$$$