LMPK12120239
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.9834    8.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    7.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    8.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    8.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.2919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    7.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    7.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    8.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    8.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    8.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    8.7669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    8.7669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    8.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.2919    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9834    5.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.2919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5137    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4531    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 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 11  1  0  0  0  0
  1 17  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  3  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120239

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RRZAYLBTMJCGOF-MDZDMXLPSA-N

> <INCHI>
InChI=1S/C21H22O5/c1-21(2)18(24)11-14-16(23)12-17(25-3)19(20(14)26-21)15(22)10-9-13-7-5-4-6-8-13/h4-10,12,18,23-24H,11H2,1-3H3/b10-9+

> <SMILES>
C1(O)C=C(OC)C(C(/C=C/C2C=CC=CC=2)=O)=C2OC(C)(C)C(O)CC=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197077

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607598

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$