LMPK12120032
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.2410    7.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1505    7.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1505    8.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    9.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3314    8.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3314    7.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8991    8.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8991    7.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7685    7.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6378    7.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6378    8.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7685    9.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1384    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0823    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    7.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1384    6.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5073    7.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3766    7.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3766    8.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5073    9.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8056    9.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0955    8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    6.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2506    9.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6411    8.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    7.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8749    8.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0827    9.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    8.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4920    7.8481    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
  7  8  2  0  0  0  0
  8  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  7  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  2  0  0  0  0
 15  8  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 11  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  1 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  6  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120032

> <COMMON_NAME>
Paratocarpin F

> <SYSTEMATIC_NAME>
1-[[2-(1-Methyl-1-hydroxyethyl)-4-hydroxy-2,3-dihydrobenzofuran]-5-yl]-3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-2-propen-1-one

> <FORMULA>
C25H26O5

> <MASS>
406.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LCVFSTYKCUWPRP-VMPITWQZSA-N

> <INCHI>
InChI=1S/C25H26O5/c1-24(2)12-11-16-13-15(6-9-20(16)30-24)5-8-19(26)17-7-10-21-18(23(17)27)14-22(29-21)25(3,4)28/h5-13,22,27-28H,14H2,1-4H3/b8-5+

> <SMILES>
C1(O)C2CC(C(C)(C)O)OC=2C=CC=1C(=O)/C=C/C1C=C2C=CC(C)(C)OC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166602

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15200528

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 241902

> <CITATION>
-

$$$$