LMPK12140603
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.2946    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    6.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230    5.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7516    6.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7516    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230    7.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4801    5.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    6.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    7.0028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4801    7.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821    7.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7105    7.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4391    7.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4391    8.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7105    8.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821    8.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4801    5.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7105    6.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0695    7.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4945    7.2628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4945    5.9017    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  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
  3 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140603

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KGKAAUBCGDPTDT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c17-8-3-1-2-7(14(8)19)10-4-9(18)13-11(23-10)5-12-16(15(13)20)22-6-21-12/h1-3,5,10,17,19-20H,4,6H2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186862

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608091

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$