LMPK12140208
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.5323    6.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2384    5.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9445    6.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9445    7.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2384    7.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5323    7.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6507    5.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3568    6.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3568    7.0376    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6507    7.4453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0623    7.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6507    5.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7866    7.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5110    7.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5110    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7866    8.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0623    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    7.4453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2384    8.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5323    8.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    8.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1078    8.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2384    5.0000    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
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140208

> <COMMON_NAME>
Obovatin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VYVZELWVPQMZDE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)9-8-13-17(24-20)11-15(22)18-14(21)10-16(23-19(13)18)12-6-4-3-5-7-12/h3-9,11,16,22H,10H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13940732

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$