LMPK12140171
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.8901    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    6.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5872    5.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2843    6.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2843    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5872    7.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9814    5.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6785    6.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6785    7.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9814    7.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3756    7.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0860    7.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7967    7.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7967    8.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0862    8.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3756    8.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9814    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5872    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5872    8.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8900    8.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8900    9.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929    9.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5872    9.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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  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
  6 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
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140171

> <COMMON_NAME>
Tephrinone

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NISHDQWTPMJBJI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-13(2)9-10-15-19(24-3)12-17(23)20-16(22)11-18(25-21(15)20)14-7-5-4-6-8-14/h4-9,12,18,23H,10-11H2,1-3H3

> <SMILES>
C1(OC)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187002

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156589

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$