LMPK12140604
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.7003    8.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7003    7.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5963    7.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4920    7.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4920    8.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5963    9.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3880    7.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2840    7.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2840    8.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3880    9.3408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    9.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1310    8.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0269    9.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0269   10.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1310   10.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350   10.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3880    6.3614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5963    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713    9.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1310    8.0360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1310   11.9892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    8.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9514    7.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2144    7.7822    0.0000 C   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
  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  6  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140604

> <COMMON_NAME>
Dioclein

> <SYSTEMATIC_NAME>
5,2',5'-Trihydroxy-6,7-dimethoxyflavanone

> <FORMULA>
C17H16O7

> <MASS>
332.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LJTSNTOXRSAZNS-LBPRGKRZSA-N

> <INCHI>
InChI=1S/C17H16O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)9-5-8(18)3-4-10(9)19/h3-5,7,12,18-19,21H,6H2,1-2H3/t12-/m0/s1

> <SMILES>
C1(OC)C=C2O[C@H](C3C=C(O)C=CC=3O)CC(=O)C2=C(O)C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178055

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3837

> <CITATION>
-

$$$$