LMPK12120134
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
   14.0903    8.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0903    7.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9557    7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8212    7.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8212    8.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9557    9.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1349    7.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0003    7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2698    7.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    7.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2698    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    8.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5373    9.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6777    8.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6777    7.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5373    7.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5373    6.3874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8180    9.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9582    8.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9582    7.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8180    7.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793    9.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5373   10.3580    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
 17 16  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120134

> <COMMON_NAME>
Flemichapparin A

> <SYSTEMATIC_NAME>
(E)-1-(5,8-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-2-propen-1-one

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HZEJNIAQUFJSBF-CMDGGOBGSA-N

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)11-10-14-18(23)15(12-17(22)19(14)24-20)16(21)9-8-13-6-4-3-5-7-13/h3-12,22-23H,1-2H3/b9-8+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11110066

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2595076

> <CITATION>
-

$$$$