LMPK12140530
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.6819    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6819    6.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3639    6.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458    6.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3639    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7278    6.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4097    6.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4097    7.4742    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7278    7.8679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7868    7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4817    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4817    8.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7868    9.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917    8.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7278    5.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1636    9.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0395    8.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4097    9.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4097   10.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3639    5.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2397    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
  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  1  1  0  0  0  0
  3 23  1  0  0  0  0
 16 21  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140530

> <COMMON_NAME>
Cerasinone

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVUGHKAZGNYYCA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3

> <SMILES>
C1(O)=CC2OC(C3C(OC)=CC(OC)=CC=3)CC(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037315

> <CHEBI_ID>
175210

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608054

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$