LMPK12120546
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.6928    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6928    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3873    5.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0818    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0818    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3873    7.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7746    5.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4673    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1600    5.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8527    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5277    5.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2026    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2026    6.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5277    7.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8527    6.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7746    5.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3873    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7746    7.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8954    7.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7911    6.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.6565    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
  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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  1 21  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120546

> <COMMON_NAME>
Calomelanone

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O5

> <MASS>
302.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VVDZZNWYISOIDK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-4,6-7,9-10,19-20H,5,8H2,1-2H3

> <SMILES>
C1(OC)C=C(O)C(C(=O)CCC2C=CC(OC)=CC=2)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0140286

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3084606

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$