LMPK12111622
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2713    7.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2713    6.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9885    6.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7057    6.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7057    7.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9885    7.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4229    6.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1401    6.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1401    7.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4229    7.7316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4229    5.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8571    7.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5881    7.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3191    7.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3191    8.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5881    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8571    8.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8571    6.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9885    5.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    8.9973    0.0000 O   0  0  0  0  0  0  0  0  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
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111622

> <COMMON_NAME>
Datiscetin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H10O6

> <MASS>
286.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WCNLFPKXBGWWDS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H

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

> <KEGG_ID>
C10036

> <HMDB_ID>
-

> <CHEBI_ID>
75107

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281610

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$