LMPK12120082
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.9700    8.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9700    7.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8271    7.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6843    7.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6843    8.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8271    9.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0332    7.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8904    7.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1763    7.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3121    7.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1763    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3121    8.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4606    9.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6091    8.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6091    7.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4606    7.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5412    9.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578    7.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4606    6.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578    9.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    8.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6093    9.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5412    7.0480    0.0000 O   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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
  5 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  4 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120082

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PSRXBIVVQYDUHH-ZZXKWVIFSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-20(2)10-9-14-18(25-20)8-5-13(19(14)24)15(21)6-3-12-4-7-16(22)17(23)11-12/h3-11,22-24H,1-2H3/b6-3+

> <SMILES>
C1=CC(O)=C(O)C=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607537

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53864

> <CITATION>
-

$$$$