LMPK12120524
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.4329    7.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4329    6.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1524    5.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720    6.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720    7.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1524    7.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5911    5.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3088    6.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0248    5.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7393    6.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4385    5.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378    6.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378    7.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4385    7.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7393    7.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5911    5.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1524    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138    7.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1448    8.4700    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4024    8.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4024    9.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7012   10.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7012    8.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375    7.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375    8.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720    8.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1788    8.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8368    7.4551    0.0000 O   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  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
  1 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 19  6  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 19  1  0  0  0  0
 27 29  2  0  0  0  0
 13 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120524

> <COMMON_NAME>
Calomelanol B

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H20O6

> <MASS>
404.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HGMBLMAQBAQIBW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H20O6/c25-16-9-6-14(7-10-16)8-11-18(26)23-20(28)13-19(27)22-17(12-21(29)30-24(22)23)15-4-2-1-3-5-15/h1-7,9-10,13,17,25,27-28H,8,11-12H2

> <SMILES>
C1(O)C2C(CC(=O)OC=2C(C(=O)CCC2C=CC(O)=CC=2)=C(O)C=1)C1C=CC=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192857

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15837975

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$