LMPK12060010
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0     0  0            999 V2000
    7.5350   10.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3647    9.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1945    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1945   10.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3647   11.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0242    9.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8540    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8540   10.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0242   11.0867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6834    9.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6834    8.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706    7.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4578    8.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4578    9.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706    9.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0242    8.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6109   10.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6838   11.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6238   10.9037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6238    9.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706    6.6758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6364    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875    7.6671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5793    8.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 25 26  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
  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  1 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
 13 23  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060010

> <COMMON_NAME>
Erosone

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Isoelliptone

> <INCHI_KEY>
QDVCTVPRLKNDMC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O6/c1-22-16-6-11-14(8-17(16)23-2)25-9-18-19(11)20(21)12-5-10-3-4-24-13(10)7-15(12)26-18/h3-8,18-19H,9H2,1-2H3

> <SMILES>
C12OC=CC1=CC1C(=O)C3C4=C(OCC3OC=1C=2)C=C(OC)C(OC)=C4

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317190

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 109171

> <CITATION>
-

$$$$