Ketcher 10212210582D 1   1.00000     0.00000     0

 24 26  0     0  0            999 V2000
    5.1266   -3.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0044   -3.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1059   -4.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9453   -5.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8356   -4.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8438   -3.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2271   -3.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633   -5.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238   -4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3970   -3.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9547   -6.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7341   -3.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5735   -3.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7248   -2.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337   -3.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6149   -1.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4545   -2.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3032   -3.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3146   -1.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2726   -6.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5275   -3.2348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7051   -5.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6310   -0.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607   -3.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  7  1  1  0     0  0
  6  2  1  0     0  0
  4  3  1  0     0  0
  8  3  1  0     0  0
  5  4  1  0     0  0
 11  4  2  0     0  0
  6  5  2  0     0  0
 22  5  1  0     0  0
 12  6  1  0     0  0
 10  7  2  0     0  0
  9  8  2  0     0  0
 20  8  1  0     0  0
 10  9  1  0     0  0
 21 10  1  0     0  0
 13 12  2  0     0  0
 14 12  1  0     0  0
 15 13  1  0     0  0
 16 14  2  0     0  0
 17 15  2  0     0  0
 18 15  1  0     0  0
 17 16  1  0     0  0
 19 17  1  0     0  0
 16 23  1  0     0  0
 21 24  1  0     0  0
M  CHG  1  20  -1
M  END
> <ID>
CHEBI:194065

> <NAME>
7-O-methylmyricetin 5-olate

> <DEFINITION>
Major microspecies at pH 7.3

> <STAR>
2

> <SYNONYM>
7-O-methylmyricetin

> <FORMULA>
C16H11O8

> <MASS>
331.257

> <MONOISOTOPIC_MASS>
331.04594

> <CHARGE>
-1

> <SMILES>
C=12OC(=C(C(C1C(=CC(=C2)OC)[O-])=O)O)C3=CC(=C(C(=C3)O)O)O

> <INCHI>
InChI=1S/C16H12O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,17-20,22H,1H3/p-1

> <INCHIKEY>
BDZXSHDKBKYQKJ-UHFFFAOYSA-M

> <PUBMED_CITATION>
21343428

$$$$