LMPK12140602
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.6236    8.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6236    7.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5032    6.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3827    7.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3827    8.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5032    8.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    6.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1421    7.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1421    8.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    8.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0759    9.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9557    8.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8352    9.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8352   10.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9557   10.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0759   10.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5032    6.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9557    7.6652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6575    8.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6575    7.1484    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
  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
 12 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140602

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2'-Dihydroxy-6,7-methylenedioxyflavanone

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CFAXKRNPHJYYNQ-NSHDSACASA-N

> <INCHI>
InChI=1S/C16H12O6/c17-9-4-2-1-3-8(9)11-5-10(18)14-12(22-11)6-13-16(15(14)19)21-7-20-13/h1-4,6,11,17,19H,5,7H2/t11-/m0/s1

> <SMILES>
C12OCOC=1C(O)=C1C(=O)C[C@@H](C3C=CC=CC=3O)OC1=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608090

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 198827

> <CITATION>
-

$$$$