LMPK12120112
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.2560    7.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2560    6.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9579    6.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6598    6.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6598    7.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9579    8.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3617    6.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0635    6.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4668    6.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1746    6.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8824    6.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8824    7.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1746    8.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4668    7.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3617    5.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5901    8.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9579    5.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5843    6.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5843    5.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
 13 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120112

> <COMMON_NAME>
Homobutein

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BWFSBUVPIAIXKJ-QHHAFSJGSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h2-9,17,19-20H,1H3/b6-2+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178323

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6438092

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$