LMPK12140308
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.4982    6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2104    5.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9226    6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9226    7.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2104    7.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4982    7.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347    5.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3470    6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3470    7.0552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6347    7.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0585    7.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347    5.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7892    7.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5198    7.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5198    8.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7892    8.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0585    8.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859    7.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2104    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2104    8.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4982    8.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859    8.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3537    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2492    8.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140308

> <COMMON_NAME>
Citflavanone

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JTJIFFUHXHGAOQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-8,10,16,21,23H,9H2,1-2H3

> <SMILES>
C1C2OC(C)(C)C=CC=2C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187683

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14187085

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$