Marvin  02051315272D          

 25 27  0  0  0  0            999 V2000
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6 11  2  0  0  0  0
  4  7  1  0  0  0  0
  7 12  1  0  0  0  0
  5  8  2  0  0  0  0
  8 14  1  0  0  0  0
  1  9  2  0  0  0  0
  6  9  1  0  0  0  0
  9 15  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:18215

> <NAME>
syringetin

> <DEFINITION>
A dimethoxyflavone that is myricetin in which the hydroxy groups at positions 3' and 5' have been replaced by methoxy groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9378; CHEBI:15144

> <SYNONYM>
Syringetin; 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone; 3',5'-O-Dimethylmyricetin

> <IUPAC_NAME>
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one

> <FORMULA>
C17H14O8

> <MASS>
346.28830

> <MONOISOTOPIC_MASS>
346.06887

> <CHARGE>
0

> <SMILES>
COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O

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

> <INCHIKEY>
UZMAPBJVXOGOFT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4423-37-4

> <REAXYS_REGISTRY_NUMBER>
344330

> <CHEMIDPLUS>
4423-37-4

> <KEGG_COMPOUND_ACCESSION>
C11620

> <KNAPSACK_ACCESSION>
C00004767

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12112498

> <METACYC_ACCESSION>
SYRINGETIN

> <WIKIPEDIA_ACCESSION>
Syringetin

> <PUBMED_CITATION>
19784998; 21745360; 22980782

$$$$