LMPK12120270
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.4511    7.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4511    6.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627    5.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8743    6.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8743    7.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627    7.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8432    6.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5548    5.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1319    5.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4143    6.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1319    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4143    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7074    7.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0005    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0005    6.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7074    5.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7074    5.0221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1211    7.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5856    7.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5856    5.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8291    8.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2739    8.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599    8.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2406    7.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518    9.5220    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
  5 19  1  0  0  0  0
  4 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 14  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120270

> <COMMON_NAME>
3',4'-Dihydrooxepino-6'-hydroxybutein

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JNDKJNCDJCKGNJ-QPJJXVBHSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-11-2-5-13-18(26-10-11)9-17(24)19(20(13)25)15(22)7-4-12-3-6-14(21)16(23)8-12/h2-4,6-9,21,23-25H,5,10H2,1H3/b7-4+

> <SMILES>
C1=CC(O)=C(O)C=C1/C=C/C(=O)C1C(O)=CC2OCC(C)=CCC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607614

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$