LMPK12140316
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.5716    8.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5951    7.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5823    7.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4139    7.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4320    8.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5103    9.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3728    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2286    7.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2168    8.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3483    9.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1242    9.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0049    8.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9194    9.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9111   10.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0179   10.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1059   10.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3728    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8133   10.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5823    6.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0179   11.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2006   12.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2006   13.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9419   13.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4802   13.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6757    9.0338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8034    8.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    7.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7229    6.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1890    9.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.3040    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
 18 14  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28  2  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140316

> <COMMON_NAME>
Paratocarpin I

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone

> <FORMULA>
C25H26O5

> <MASS>
406.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PUUPPHKALYHDRS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O5/c1-14(2)5-6-15-11-16(7-8-18(15)26)20-12-19(27)23-22(29-20)13-21-17(24(23)28)9-10-25(3,4)30-21/h5,7-11,13,20,26,28H,6,12H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)CC(C3C=C(C/C=C(/C)\C)C(O)=CC=3)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15200531

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 241902

> <CITATION>
-

$$$$