LMPK12120154
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.4290    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1446    6.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1446    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8590    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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
 14 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120154

> <COMMON_NAME>
Heliannone A

> <SYSTEMATIC_NAME>
2',4-Dihydroxy-3',4'-dimethoxychalcone

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RURQJVCNVGERHF-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-21-15-10-8-13(16(20)17(15)22-2)14(19)9-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b9-5+

> <SMILES>
C1(OC)C(OC)=C(O)C(C(/C=C/C2C=CC(O)=CC=2)=O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031705

> <CHEBI_ID>
174862

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5357345

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$