Ketcher 06021514032D 1   1.00000     0.00000     0

 20 22  0     0  0            999 V2000
   17.6869  -13.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6869  -14.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5517  -14.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4166  -14.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4166  -13.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5517  -12.8422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8221  -12.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9571  -13.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9571  -14.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8221  -14.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2947  -12.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1543  -13.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0190  -12.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0190  -11.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1594  -11.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2947  -11.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5516  -15.8529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4408  -11.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4407  -10.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0809  -14.8460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  1  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
  2 10  1  0     0  0
  5 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 11 16  1  0     0  0
  3 17  2  0     0  0
 16 18  1  0     0  0
 18 19  1  0     0  0
  9 20  1  0     0  0
M  END
> <ID>
CHEBI:79718

> <NAME>
6-hydroxy-2'-methoxyflavone

> <DEFINITION>
A monohydroxyflavone a that is  flavone substituted by a hydroxy group at position 6 and a methoxy group at position 2'.

> <STAR>
3

> <IUPAC_NAME>
6-hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C16H12O4

> <MASS>
268.26410

> <MONOISOTOPIC_MASS>
268.07356

> <CHARGE>
0

> <SMILES>
COc1ccccc1-c1cc(=O)c2cc(O)ccc2o1

> <INCHI>
InChI=1S/C16H12O4/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-9,17H,1H3

> <INCHIKEY>
OOGPSPVFDWHSGX-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
26077

> <KEGG_COMPOUND_ACCESSION>
C15203

$$$$