Mrv0541 11261311462D          

 23 25  0  0  0  0            999 V2000
    2.2145   -0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -1.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311   -0.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5048   -0.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5048   -2.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9242   -2.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -1.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5048   -2.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   -1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -2.8774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0717   -0.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505   -2.0579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0671   -0.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0740    0.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249   -0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0773    1.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5036    0.8186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <ID>
CHEBI:2945

> <NAME>
azaleatin

> <DEFINITION>
A monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group.

> <STAR>
3

> <SYNONYM>
Quercetin 5-methyl ether; 5-O-methylquercetin; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one

> <IUPAC_NAME>
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one

> <FORMULA>
C16H12O7

> <MASS>
316.26230

> <MONOISOTOPIC_MASS>
316.05830

> <CHARGE>
0

> <SMILES>
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12

> <INCHI>
InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3

> <INCHIKEY>
RJBAXROZAXAEEM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
529-51-1

> <REAXYS_REGISTRY_NUMBER>
333664

> <CHEMIDPLUS>
529-51-1

> <KEGG_COMPOUND_ACCESSION>
C10022

> <KNAPSACK_ACCESSION>
C00004633

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12112546

> <WIKIPEDIA_ACCESSION>
Azaleatin

$$$$