LMPK12140305
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.5327   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4171   11.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5327    9.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4183    8.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    9.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3020   10.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875    8.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0720    9.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0714   10.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1864   11.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   10.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7350   10.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6194   10.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6186   11.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7338   12.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8494   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881    8.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4188    7.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4735   12.4902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6479   11.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7635   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7635    9.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6479    8.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6479    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7631    7.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7631    6.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6479    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    6.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    7.5928    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
 14 19  1  0  0  0  0
  1 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  3  1  0  0  0  0
 21 24  2  0  0  0  0
 23 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
M  END
> <LM_ID>
LMPK12140305

> <COMMON_NAME>
Calomelanol H

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

> <FORMULA>
C24H18O6

> <MASS>
402.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BQCMJSOAYSMFJF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H18O6/c25-15-8-6-14(7-9-15)18-11-17(26)23-20(29-18)12-19-22(24(23)28)16(10-21(27)30-19)13-4-2-1-3-5-13/h1-9,12,16,18,25,28H,10-11H2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186004

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607934

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 164274

> <CITATION>
-

$$$$