LMPK12140208
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0            999 V2000
   10.2035   -7.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594   -7.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152   -7.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594   -5.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2035   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7712   -7.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6271   -7.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6271   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7712   -5.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4823   -5.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7712   -8.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3602   -6.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2383   -5.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2383   -4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3602   -4.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4823   -4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3477   -5.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594   -4.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2035   -4.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3477   -4.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -4.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3461   -5.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594   -8.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  4  1  0     0  0
  9 11  1  6     0  0
  7 12  2  0     0  0
 11 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 11  1  0     0  0
  6 18  1  0     0  0
  5 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 18  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
  2 24  1  0     0  0
M  END
> <LM_ID>
LMPK12140208

> <COMMON_NAME>
Obovatin

> <SYSTEMATIC_NAME>
5-Hydroxy-6",6"-dimethylpyrano[2",3":7,8]flavanone

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VYVZELWVPQMZDE-INIZCTEOSA-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/t16-/m0/s1

> <SMILES>
C1C2OC(C)(C)C=CC=2C2O[C@H](C3C=CC=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68376

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13940733

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 185973

> <CITATION>
-

$$$$