LMPK12100003
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.8579    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    9.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    9.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    9.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9600    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  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  3 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
  5 17  2  0  0  0  0
  9 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100003

> <COMMON_NAME>
Dalbergin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O4

> <MASS>
268.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AZELSOYQOIUPBZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O4/c1-19-15-9-14-12(7-13(15)17)11(8-16(18)20-14)10-5-3-2-4-6-10/h2-9,17H,1H3

> <SMILES>
C12C=C(OC)C(O)=CC=1C(C1C=CC=CC=1)=CC(=O)O2

> <KEGG_ID>
C10414

> <HMDB_ID>
-

> <CHEBI_ID>
4308

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442768

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$