LMPK12120420
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.7180    6.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4096    5.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1011    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1011    6.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4096    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3356    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0268    5.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6445    5.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6445    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    7.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5794    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5794    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    5.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    5.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6445    7.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8881    5.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8881    7.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    8.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3428    8.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  1  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  1  0  0  0  0
 16 10  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  2  0  0  0  0
 14 20  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120420

> <COMMON_NAME>
Methylpedicinin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HRKCLRLMUHTQGG-CMDGGOBGSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-22-16-14(20)12(13(19)15(21)17(16)23-2)11(18)9-8-10-6-4-3-5-7-10/h3-9,19H,1-2H3/b9-8+

> <SMILES>
C1=CC=CC=C1/C=C/C(=O)C1=C(O)C(=O)C(OC)=C(OC)C1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184893

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21679829

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$