Ketcher 10212215152D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
    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
    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
   -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   -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
   -2.5981    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
    2.5981    2.0000    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
    3.4641    2.5000    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
    4.3302    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3302    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.0000    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
  1 13  1  0     0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  3  4  2  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  6 11  2  0     0  0
  4  7  1  0     0  0
  7 12  1  0     0  0
  5  8  2  0     0  0
  8 14  1  0     0  0
  1  9  2  0     0  0
  6  9  1  0     0  0
  9 15  1  0     0  0
  7 10  2  0     0  0
  8 10  1  0     0  0
 13 16  2  0     0  0
 13 17  1  0     0  0
 16 18  1  0     0  0
 17 19  2  0     0  0
 18 20  2  0     0  0
 18 22  1  0     0  0
 19 24  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 22 23  1  0     0  0
 24 25  1  0     0  0
 15 26  1  0     0  0
M  CHG  1  14  -1
M  END
> <ID>
CHEBI:194075

> <NAME>
3,3',5'-O-trimethylmyricetin 7-olate

> <DEFINITION>
Major microspecies at pH 7.3. 

> <STAR>
2

> <SYNONYM>
3,3',5'-O-trimethylmyricetin

> <FORMULA>
C18H15O8

> <MASS>
359.311

> <MONOISOTOPIC_MASS>
359.07724

> <CHARGE>
-1

> <SMILES>
C=1(C2=CC(=C(C(=C2)OC)O)OC)OC3=C(C(=O)C1OC)C(O)=CC(=C3)[O-]

> <INCHI>
InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)15(12)21)17-18(25-3)16(22)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-21H,1-3H3/p-1

> <INCHIKEY>
PLORYRPFPGAIDS-UHFFFAOYSA-M

> <PUBMED_CITATION>
22711283

$$$$