LMPK12140069
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.2534    6.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2534    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9527    5.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6519    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6519    6.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9527    7.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3512    5.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0505    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0505    6.8947    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3512    7.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7495    7.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4622    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1749    7.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1749    8.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4622    8.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7495    8.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3512    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8874    8.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4622    9.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9527    8.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2537    8.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2537    9.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5547    9.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9527    9.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4904    9.5390    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
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 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
 20 26  1  0  0  0  0
 26 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140069

> <COMMON_NAME>
Ovaliflavanone C

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PAUXUELQYNEFMK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-12(2)3-5-14-16(22)7-6-15-17(23)10-19(26-21(14)15)13-4-8-18-20(9-13)25-11-24-18/h3-4,6-9,19,22H,5,10-11H2,1-2H3

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C4OCOC4=CC=3)CC(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185577

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607824

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$