LMPK12110163
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.6985    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6985    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9840    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9840    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1274    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1274    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129    7.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8419    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5563    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5563    9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8419    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9840    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4849    7.7299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4849    6.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6985    5.0000    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  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  6  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  5  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110163

> <COMMON_NAME>
Pinnatin

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H12O4

> <MASS>
292.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QNWOJWLIFBMWKQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H12O4/c1-20-18-12-7-8-21-15(12)10-16-17(18)13(19)9-14(22-16)11-5-3-2-4-6-11/h2-10H,1H3

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C=C1OC=CC1=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196230

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320607

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$