LMPK12120210
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.5812    9.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5812    8.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4743    7.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3673    8.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3673    9.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4743    9.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2604    7.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2604    6.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1534    8.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0464    7.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9395    8.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8326    7.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7256    8.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7256    9.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8326    9.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9395    9.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4743    6.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2022    9.5391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6130    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2597   10.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2342   10.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8148    9.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8611   11.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3046   12.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.3354    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  1  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
> <LM_ID>
LMPK12120210

> <COMMON_NAME>
Crassichalcone

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

> <FORMULA>
C21H20O4

> <MASS>
336.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VQIKMMPLZDAZMZ-MDZDMXLPSA-N

> <INCHI>
InChI=1S/C21H20O4/c1-13(2)17-11-15-18(25-17)12-19(24-3)20(21(15)23)16(22)10-9-14-7-5-4-6-8-14/h4-10,12,17,23H,1,11H2,2-3H3/b10-9+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180263

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15479308

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3091980

> <CITATION>
-

$$$$