ChEBI
  Mrv0541 05141414252D          

 25 27  0  0  0  0            999 V2000
    4.5844   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2744   -2.2253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878   -3.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2639   -3.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9890   -3.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9890   -2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8206   -2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8878   -3.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1732   -3.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448   -2.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   -4.7093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6894   -2.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3793   -2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6752   -1.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1044   -2.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4003   -0.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902   -1.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8190   -2.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153   -0.9839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8773   -4.7036    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4728   -3.8932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6789   -3.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4039   -3.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302   -2.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298   -2.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  7  1  1  0  0  0  0
  6  2  1  0  0  0  0
  4  3  1  0  0  0  0
  8  3  1  0  0  0  0
  5  4  1  0  0  0  0
 11  4  2  0  0  0  0
  6  5  2  0  0  0  0
 22  5  1  0  0  0  0
 12  6  1  0  0  0  0
 10  7  2  0  0  0  0
  9  8  2  0  0  0  0
 20  8  1  0  0  0  0
 10  9  1  0  0  0  0
 21  9  1  0  0  0  0
 24 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  CHG  1  20  -1
M  END
> <ID>
CHEBI:77769

> <NAME>
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1-)

> <DEFINITION>
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

> <STAR>
3

> <SYNONYM>
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone

> <IUPAC_NAME>
2-(3,4-dihydroxyphenyl)-6-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-5-olate

> <FORMULA>
C17H13O8

> <MASS>
345.28090

> <MONOISOTOPIC_MASS>
345.06159

> <CHARGE>
-1

> <SMILES>
COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c([O-])c1O

> <INCHI>
InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)13(11)20)15(22)17(24-2)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3/p-1

> <INCHIKEY>
WGWGXVOAFMLMJZ-UHFFFAOYSA-M

$$$$