LMPK12140085
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.4108    6.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4108    6.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    5.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8215    6.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8215    6.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    7.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5269    5.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2323    6.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2323    6.9735    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5269    7.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9374    7.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6564    6.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3753    7.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3753    8.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6564    8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9374    8.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5269    5.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0940    8.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7056    7.3806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6564    9.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    8.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4110    8.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6936    9.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7056    8.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4960    8.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0869    8.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7054    5.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  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
 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  2  0  0  0  0
 20 23  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  2 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140085

> <COMMON_NAME>
Ovalichromene A

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O6

> <MASS>
380.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DEXCLCXZBFTTDI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O6/c1-22(2)7-6-13-20-14(9-19(24-3)21(13)28-22)15(23)10-17(27-20)12-4-5-16-18(8-12)26-11-25-16/h4-9,17H,10-11H2,1-3H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=C4OCOC4=CC=3)CC(=O)C=1C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607831

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$