Ketcher 06011516162D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
   17.1153  -17.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1153  -18.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9850  -19.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9850  -17.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8498  -17.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8456  -18.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112  -19.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5759  -18.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5803  -17.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7197  -17.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4419  -17.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3131  -17.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1748  -17.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1655  -16.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2943  -15.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4326  -16.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7013  -20.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9756  -20.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2478  -17.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4363  -19.2798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3012  -18.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0     0  0
  3  6  1  0     0  0
  5  4  1  0     0  0
  4  1  2  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  5  6  2  0     0  0
  7 17  2  0     0  0
  6  7  1  0     0  0
  3 18  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  1 19  1  0     0  0
  9 11  1  0     0  0
  8 20  1  0     0  0
  1  2  1  0     0  0
 20 21  1  0     0  0
M  END
> <ID>
CHEBI:1602

> <NAME>
3-methylgalangin

> <DEFINITION>
A monomethoxyflavone that is galangin in which the hydroxy group at position 3 has been replaced by a methoxy group.

> <STAR>
3

> <SYNONYM>
Galangin 3-methyl ether; 5,7-Dihydroxy-3-methoxyflavone

> <IUPAC_NAME>
5,7-dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one

> <FORMULA>
C16H12O5

> <MASS>
284.26350

> <MONOISOTOPIC_MASS>
284.06847

> <CHARGE>
0

> <SMILES>
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccccc1

> <INCHI>
InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3

> <INCHIKEY>
LYISDADPVOHJBJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6665-74-3

> <REAXYS_REGISTRY_NUMBER>
385014

> <CHEMIDPLUS>
6665-74-3

> <KEGG_COMPOUND_ACCESSION>
C11577

> <KNAPSACK_ACCESSION>
C00004534

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111654

$$$$