LMPK12120390
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2070    7.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2070    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9064    6.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6059    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6059    7.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9064    7.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3056    6.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0051    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7046    6.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4041    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    6.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8150    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8150    7.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    7.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4041    7.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3056    5.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7046    5.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5074    7.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8078    7.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8078    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5074    6.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    8.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9064    5.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8048    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3056    7.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2039    7.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  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 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
  9 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  5 26  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120390

> <COMMON_NAME>
Praecansone B

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O5

> <MASS>
366.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TUJSKSRZFNAELN-VBKFSLOCSA-N

> <INCHI>
InChI=1S/C22H22O5/c1-22(2)11-10-15-18(27-22)13-19(25-3)20(21(15)26-4)17(24)12-16(23)14-8-6-5-7-9-14/h5-13,23H,1-4H3/b16-12-

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C(C(=O)/C=C(\O)/C1C=CC=CC=1)=C(OC)C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10090306

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$