LMPK12140318
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.5365    8.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5597    7.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5286    7.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3452    7.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3627    8.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4580    9.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2864    6.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1265    7.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1151    8.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2624    9.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0058    9.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8704    8.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7682    9.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7600   10.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8831   10.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9878   10.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2864    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5286    6.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6619    8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5476    9.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5476   10.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6619   10.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3307   10.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3553    9.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6570    8.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005    8.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8237    7.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7032    6.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2592    8.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0312    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
  3 18  1  0  0  0  0
 13 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 14  1  0  0  0  0
 21 23  1  0  0  0  0
 21 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  1  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>
LMPK12140318

> <COMMON_NAME>
Paratocarpin J

> <SYSTEMATIC_NAME>
5-Hydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone

> <FORMULA>
C25H28O5

> <MASS>
408.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QSAGUVMYNHRPAW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H28O5/c1-24(2)9-7-15-11-14(5-6-18(15)29-24)19-12-17(26)22-21(28-19)13-20-16(23(22)27)8-10-25(3,4)30-20/h5-6,11,13,19,27H,7-10,12H2,1-4H3

> <SMILES>
C12OC(C)(C)CCC1=C(O)C1C(=O)CC(C3C=CC4OC(C)(C)CCC=4C=3)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15200532

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 241902

> <CITATION>
-

$$$$