Mrv0541 10141415572D          
 
 29 31  0  0  0  0            999 V2000
   12.3331   -9.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3331  -10.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0475  -10.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7621  -10.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7621   -9.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0475   -9.1185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6186   -9.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9041   -9.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9041  -10.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6186  -10.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4876   -9.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1977   -9.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9121   -9.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9121   -8.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2019   -7.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -8.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0475  -11.5935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6186   -8.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1786   -9.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1786  -10.7751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6186  -11.5935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3430   -7.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4684  -10.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9141  -12.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1788   -8.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6209   -9.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7805   -7.8791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7804   -7.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6203  -10.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
  3 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 19 25  1  0  0  0  0
 13 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
> <ID>
CHEBI:79467

> <NAME>
2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

> <DEFINITION>
A  methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 2' and 5'.

> <STAR>
3

> <SYNONYM>
2',5',5,6,7,8-hexamethoxyflavone

> <IUPAC_NAME>
2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one

> <FORMULA>
C21H22O8

> <MASS>
402.39460

> <MONOISOTOPIC_MASS>
402.13147

> <CHARGE>
0

> <SMILES>
COc1ccc(OC)c(c1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1

> <INCHI>
InChI=1S/C21H22O8/c1-23-11-7-8-14(24-2)12(9-11)15-10-13(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3

> <INCHIKEY>
FJNLODZIVSPGBA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
70460-30-9

> <REAXYS_REGISTRY_NUMBER>
8086965

> <CHEMIDPLUS>
70460-30-9

> <KEGG_COMPOUND_ACCESSION>
C14943

$$$$