LMPK12050135
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5468    8.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5468    8.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3609    7.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1751    8.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1751    8.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3609    9.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9893    7.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8034    8.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8034    8.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9893    9.4485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6175    7.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6175    6.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4881    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3586    6.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3586    7.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4881    8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9893    6.6283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3609   10.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6284   11.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1728    6.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4403    6.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  7 18  2  0  0  0  0
  6 19  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050135

> <COMMON_NAME>
8-O-Methylretusin

> <SYSTEMATIC_NAME>
7-hydroxy-8,4'-dimethoxyisoflavone

> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Isoafrormosin

> <INCHI_KEY>
SELGEUSJRWRBQR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-16-12(15(13)19)7-8-14(18)17(16)21-2/h3-9,18H,1-2H3

> <SMILES>
C1(O)=C(OC)C2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
108582

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319771

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53873

> <CITATION>
-

$$$$