LMPK12111991
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.9726    8.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9726    7.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446    7.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167    7.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167    8.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446    9.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5889    7.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4609    7.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4609    8.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5889    9.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5889    6.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3326    9.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2213    8.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1102    9.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1102   10.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2213   10.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3326   10.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3326    7.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446   10.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9726   10.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1004   10.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1004    9.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9987   10.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7162   10.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5769   10.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   10.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   11.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5769   12.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7162   11.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.5536    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>
(-)-9,10-Dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione

> <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; 164274

> <CITATION>
-

$$$$