Ketcher 07142211552D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
    0.8661   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3302    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3302    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  2  0     0  0
  1  2  1  0     0  0
  4  3  2  0     0  0
  4  1  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
 12  6  1  0     0  0
  7  5  2  0     0  0
 11  7  1  0     0  0
  8  6  2  0     0  0
  8  7  1  0     0  0
  2  9  2  0     0  0
  9 14  1  0     0  0
 10  9  1  0     0  0
  3 10  1  0     0  0
 15 14  2  0     0  0
 16 14  1  0     0  0
 17 15  1  0     0  0
 18 16  2  0     0  0
 19 17  2  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 11 21  1  0     0  0
  8 22  1  0     0  0
M  END
> <ID>
CHEBI:192701

> <NAME>
scutellarein 7-methyl ether

> <STAR>
2

> <SYNONYM>
scutellarein 7-methyl ether

> <FORMULA>
C16H12O6

> <MASS>
300.266

> <MONOISOTOPIC_MASS>
300.06339

> <CHARGE>
0

> <SMILES>
C1(=O)C=C(C2=CC=C(C=C2)O)OC3=C1C(O)=C(C(=C3)OC)O

> <INCHI>
InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3

> <INCHIKEY>
UWARRXZVZDFPQU-UHFFFAOYSA-N

> <METACYC_ACCESSION>
CPD-15630

$$$$