LMPK12120007
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.8716    7.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8716    6.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    6.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3117    6.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3117    7.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    7.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0318    6.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7519    6.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4718    6.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1916    6.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9178    6.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6439    6.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6439    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9178    7.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1916    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0318    5.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1517    7.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    5.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1517    6.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4335    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    6.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    5.2414    0.0000 C   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  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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  2 19  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
 21 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120007

> <COMMON_NAME>
Isocordoin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O3

> <MASS>
308.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CHWWSUSAPRACBZ-FMIVXFBMSA-N

> <INCHI>
InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3/b12-9+

> <SMILES>
C1(O)=CC=C(C(=O)/C=C/C2C=CC=CC=2)C(O)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185940

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6251270

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$