LMPK12140205
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0  0  0  0  0  0  0  0999 V2000
    8.5317   10.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4158   11.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5317    9.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4169    8.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3009    9.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3004   10.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1855    8.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0696    9.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0690   10.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1844   11.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8473   10.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7319   10.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6159   10.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6154   11.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7308   12.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8467   11.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1860    8.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4175    7.9843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6472   11.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7632   10.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7632    9.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6472    8.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.9258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6472    8.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7628    7.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7628    6.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6472    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5314    6.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5314    7.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  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  2  1  0  0  0  0
  5  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  6  1  0  0  0  0
  9 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
  4 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  3  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140205

> <COMMON_NAME>
Calomelanol J

> <SYSTEMATIC_NAME>
3,4,7,8-Tetrahydro-5-hydroxy-4,8-diphenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione

> <FORMULA>
C24H18O5

> <MASS>
386.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZNAYOLWBEXMRIR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H18O5/c25-17-12-18(15-9-5-2-6-10-15)28-20-13-19-22(24(27)23(17)20)16(11-21(26)29-19)14-7-3-1-4-8-14/h1-10,13,16,18,27H,11-12H2

> <SMILES>
C12OC(=O)CC(C3C=CC=CC=3)C1=C(O)C1C(=O)CC(C3C=CC=CC=3)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13842400

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 164274

> <CITATION>
-

$$$$