LMPK12120595
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.9079    7.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9079    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233    5.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3386    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3387    7.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233    7.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0535    7.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0534    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7682    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4830    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1978    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    5.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6237    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6237    7.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    7.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1978    7.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0534    5.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0825    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4952    5.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.4772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0361    8.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2106    8.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  9 18  2  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  1 21  2  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120595

> <COMMON_NAME>
Grandiflorone

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H22O4

> <MASS>
314.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KUWGTESSHWPSOB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3

> <SMILES>
C1(=O)C(C)(C)C(=O)C(C(=O)CCC2C=CC=CC=2)=C(O)C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137843

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3014646

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$