LMPK12140206
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.5178    7.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5178    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2223    6.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9267    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9267    7.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2223    7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6312    6.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3356    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3356    7.5558    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6312    7.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0400    7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7580    7.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4759    7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4759    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7580    9.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0400    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6312    5.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2223    8.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5178    9.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134    8.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134    7.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4067    9.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2223    5.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1270    5.0000    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
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140206

> <COMMON_NAME>
Obovatin methyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O4

> <MASS>
336.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ITOTUSMHIQFNHJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)CC(=O)C=1C(OC)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180256

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
2729164

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$