LMPK12050069
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0     0  0            999 V2000
    7.5984   12.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5984   11.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4108   10.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2231   11.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2231   12.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4108   12.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0356   10.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480   11.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480   12.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0356   12.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7139   10.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7139    9.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5825    9.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4511    9.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4511   10.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5825   11.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0356    9.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5825   12.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5825    8.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4485    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4485    6.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5825    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3143    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480    9.3617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480    8.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3171    9.3617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5818   10.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  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  2  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  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
 16 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050069

> <COMMON_NAME>
Licoricone

> <SYSTEMATIC_NAME>
7-Hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one

> <FORMULA>
C22H22O6

> <MASS>
382.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GGWMNTNDTRKETA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3

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

> <KEGG_ID>
C17765

> <HMDB_ID>
HMDB0029515

> <CHEBI_ID>
69094

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319013

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
-

$$$$