LMPK12120237
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.4367    7.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4367    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    6.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9175    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9175    7.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    8.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    6.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    5.5334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3983    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1387    6.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8791    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6195    6.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3599    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3599    7.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6195    8.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8791    7.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    5.5988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6097    8.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5685    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    8.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4367    9.3806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6963    8.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6963    8.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4367   10.0478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638    9.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.7666    0.0000 C   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
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6 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  1  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120237

> <COMMON_NAME>
2'-Methoxyhelikrausichalcone

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

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

> <SMILES>
C12OC(C)(C)C(O)CC1=C(O)C(C(/C=C/C1C=CC=CC=1)=O)=C(OC)C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607597

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$