LMPK12140680
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.3795    7.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3795    7.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748    6.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7702    7.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7702    7.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748    8.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    6.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1608    7.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1608    7.8557    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4655    8.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8559    8.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5646    7.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2733    8.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2733    9.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5646    9.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8559    9.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    5.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9331    8.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1301    8.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748    5.4015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3795    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4865    7.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4224    8.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2233    9.0311    0.0000 C   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
  1 18  1  0  0  0  0
  3 20  1  0  0  0  0
  2 22  1  0  0  0  0
  6 24  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140680

> <COMMON_NAME>
Kanakugin

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H20O6

> <MASS>
344.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MYURJYCFOUHXBP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H20O6/c1-21-15-14-12(20)10-13(11-8-6-5-7-9-11)25-16(14)18(23-3)19(24-4)17(15)22-2/h5-9,13H,10H2,1-4H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14136084

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$