LMPK12050506
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    7.5696   11.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696   10.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065    9.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2435   10.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2435   11.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065   11.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0805    9.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9174   10.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9174   11.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0805   11.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7545    9.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7545    8.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6494    8.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5442    8.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5442    9.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6494   10.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0805    8.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4381    8.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6494    7.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5433    6.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3811   10.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4381    7.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9214    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4045    7.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065    8.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4815    8.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 15 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 19  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050506

> <COMMON_NAME>
Glycyrrhisoflavanone

> <SYSTEMATIC_NAME>
(S)-5-Methoxy-2,3-dihydro-3alpha-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OTJMSWBNEUNNEW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-9,14,22-23H,10H2,1-3H3

> <SMILES>
C1(O)C=C(OC)C2C(=O)C(C3=CC(O)=C4OC(C)(C)C=CC4=C3)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317762

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
-

$$$$