LMPK12140146
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.9028    7.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9028    6.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6123    5.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3217    6.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3217    7.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6123    7.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0311    5.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7405    6.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7405    7.1320    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0311    7.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4497    7.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1727    7.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8958    7.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8958    8.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1727    8.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4497    8.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0311    5.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6123    5.0843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1937    7.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1937    5.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728    6.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728    7.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7365    7.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7365    5.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7365    5.0000    0.0000 O   0  0  0  0  0  0  0  0  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140146

> <COMMON_NAME>
Isochamanetin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H18O5

> <MASS>
362.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KSBALECVCJXYHU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-20-21(22(15)26)18(25)12-19(27-20)13-6-2-1-3-7-13/h1-9,11,19,23-24,26H,10,12H2

> <SMILES>
C1(O)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1CC1C(O)=CC=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21721817

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$