LMPK12140353
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.5602   11.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4543   11.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5602   10.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4556    9.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3496   10.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3490   11.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2444    9.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1386   10.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1380   11.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2433   11.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9254   11.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8202   11.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7142   11.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7136   12.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8188   13.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9248   12.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2449    8.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4561    8.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5779   13.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3051   12.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6654   11.8705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7711   11.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7711   10.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6654    9.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6654    8.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709    8.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709    7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6654    6.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5598    7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5598    8.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6654    6.0606    0.0000 O   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
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  3  1  0  0  0  0
 22 25  2  0  0  0  0
 24 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 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140353

> <COMMON_NAME>
Calomelanol G

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

> <FORMULA>
C25H20O7

> <MASS>
432.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DNOIKCRYNMLUFP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H20O7/c1-30-16-8-4-14(5-9-16)19-11-18(27)24-21(31-19)12-20-23(25(24)29)17(10-22(28)32-20)13-2-6-15(26)7-3-13/h2-9,12,17,19,26,29H,10-11H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607961

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 164274

> <CITATION>
-

$$$$