LMPK12140278
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.2856    6.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2856    6.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9731    5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607    6.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607    6.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9731    7.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3483    5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0358    6.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0358    6.9846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3483    7.3816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7231    7.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4239    6.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1247    7.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1247    8.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4239    8.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7231    8.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3483    5.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8527    8.6108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9731    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6747    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4960    8.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3172    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3172   10.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1385    8.6113    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  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
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 19 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
 23 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140278

> <COMMON_NAME>
Selinone

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O5

> <MASS>
340.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GYSDUVRPSWKYDJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O5/c1-12(2)7-8-24-15-5-3-13(4-6-15)18-11-17(23)20-16(22)9-14(21)10-19(20)25-18/h3-7,9-10,18,21-22H,8,11H2,1-2H3

> <SMILES>
C1(O)=CC2OC(C3C=CC(OC/C=C(/C)\C)=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037585

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305191

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$