LMPK12111623
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.8880    7.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832    6.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    7.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832    7.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9732    6.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6682    6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6682    7.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9732    7.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9732    5.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3632    7.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0715    7.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7798    7.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7798    8.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0715    8.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3632    8.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3632    6.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832    5.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6682    8.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111623

> <COMMON_NAME>
Datin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HKLUUHOGFLPVLP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-8-6-11(18)13-12(7-8)22-16(15(20)14(13)19)9-4-2-3-5-10(9)17/h2-7,17-18,20H,1H3

> <SMILES>
C1(OC)=CC2OC(C3C(O)=CC=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258715

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$