LMPK12111991
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.5774    7.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5774    6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2968    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0163    6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0163    7.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2968    7.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7358    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4552    6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4552    7.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7358    7.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7358    5.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1744    7.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    7.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6409    7.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6409    8.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    8.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1744    8.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1744    5.8307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2968    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2968    8.3228    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5774    8.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    8.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    7.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739    8.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0159    8.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7259    8.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4359    8.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4359    9.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7259    9.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0159    9.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.7067    0.0000 O   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 15 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 22 31  2  0  0  0  0
M  END
> <LM_ID>
LMPK12111991

> <COMMON_NAME>
Calomelanol D

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H16O7

> <MASS>
416.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GQAGUHWGUCXTSY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H16O7/c25-14-8-6-13(7-9-14)23-22(29)21(28)20-16(26)11-17-19(24(20)31-23)15(10-18(27)30-17)12-4-2-1-3-5-12/h1-9,11,15,25-26,29H,10H2

> <SMILES>
C12OC(=O)CC(C3C=CC=CC=3)C=1C1OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166624

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259049

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$