Ketcher 06081508292D 1   1.00000     0.00000     0

 23 25  0     1  0            999 V2000
   18.1043  -11.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9714  -12.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2330  -12.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1085  -10.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9632  -13.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8385  -11.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3659  -11.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2289  -13.1213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2414  -10.1157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8302  -13.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0919  -13.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7057  -12.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3701  -10.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5072  -12.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7014  -13.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0835  -14.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5072  -10.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6401  -11.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5072  -13.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5602  -13.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6401  -10.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4314  -13.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7730  -10.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  2  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  6 12  2  0     0  0
  7 13  2  0     0  0
  7 14  1  0     0  0
 10 15  2  0     0  0
 11 16  1  0     0  0
 13 17  1  0     0  0
 14 18  2  0     0  0
 14 19  1  0     0  0
 15 20  1  0     0  0
 17 21  2  0     0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
  9 13  1  0     0  0
 12 15  1  0     0  0
 18 21  1  0     0  0
M  END
> <ID>
CHEBI:5754

> <NAME>
homoferreirin

> <DEFINITION>
A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and methoxy groups at positions 2' and 4' respectively.

> <STAR>
3

> <SYNONYM>
5,7-dihydroxy-2',4'-dimethoxyisoflavanone

> <IUPAC_NAME>
3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one

> <FORMULA>
C17H16O6

> <MASS>
316.30530

> <MONOISOTOPIC_MASS>
316.09469

> <CHARGE>
0

> <SMILES>
COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(OC)c1

> <INCHI>
InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3

> <INCHIKEY>
LMLDNMHDNFCNCW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
482-01-9

> <REAXYS_REGISTRY_NUMBER>
332638

> <KEGG_COMPOUND_ACCESSION>
C10457

> <KNAPSACK_ACCESSION>
C00002535

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12050502

$$$$