LMPK12120192
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.2885    9.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2885    8.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1397    8.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9910    8.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9910    9.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1397   10.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3648    8.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2162    8.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5139    8.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6555    8.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5139    7.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6555    9.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8099   10.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641    9.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641    8.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8099    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8424   10.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1186   10.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184    8.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184    7.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641    6.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8099    7.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2569    6.3605    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
  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
 17  5  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 16  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120192

> <COMMON_NAME>
Crotmadine

> <SYSTEMATIC_NAME>
4'',5''-Dihydro-4,4'-dihydroxy-6'',6''-dimethylpyrano[2'',3'':3'',2']chalcone

> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IHXFKGYLEMDOHV-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C20H20O4/c1-20(2)12-11-16-15(8-10-18(23)19(16)24-20)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+

> <SMILES>
C1=CC(O)=CC=C1/C=C/C(=O)C1C2CCC(C)(C)OC=2C(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6442991

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 890033

> <CITATION>
-

$$$$