LMPK12140314
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.5824    8.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6055    7.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5724    7.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3872    7.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4049    8.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5020    9.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    7.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1648    7.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1533    8.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3024    9.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0423    9.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9021    8.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7872    9.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8127   10.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9270   10.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0308   10.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    6.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7141   10.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048    9.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8502    8.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8733    7.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7509    7.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548    9.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5724    6.3965    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
  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
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140314

> <COMMON_NAME>
Paratocarpin K

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

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JSAQPDCTCSLTHA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-20(2)8-7-13-16(25-20)10-17-18(19(13)23)14(22)9-15(24-17)11-3-5-12(21)6-4-11/h3-8,10,15,21,23H,9H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14187087

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 241902

> <CITATION>
-

$$$$