LMPK12050492
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.5766   11.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5766   10.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205    9.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643   10.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643   11.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205   11.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1082    9.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9520   10.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518   11.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1082   11.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7958    9.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7958    8.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6981    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6004    8.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6004    9.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6981   10.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1082    8.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9520    8.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205    8.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6981    7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6004    6.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5026    7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5026    8.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4771    7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9899    6.3606    0.0000 C   0  0  0  0  0  0  0  0  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  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
  7 17  2  0  0  0  0
 12 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050492

> <COMMON_NAME>
Licoisoflavanone

> <SYSTEMATIC_NAME>
5,5',7-Trihydroxy-2',2'-dimethyl-[3,6'-bi-2H-1-benzopyran]-4 (3H)-one

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JNDPLDZUOFZXIG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-20(2)6-5-12-15(26-20)4-3-11(18(12)23)13-9-25-16-8-10(21)7-14(22)17(16)19(13)24/h3-8,13,21-23H,9H2,1-2H3

> <SMILES>
C1(O)=CC2OCC(C3=CC=C4OC(C)(C)C=CC4=C3O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
392443

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 46347

> <CITATION>
-

$$$$