LMPK12111600
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2486    7.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2486    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    5.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370    7.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    7.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    5.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0254    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0254    7.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    7.4048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7195    7.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346    7.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346    8.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271    8.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7195    8.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7195    5.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    8.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0234    8.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111600

> <COMMON_NAME>
Zuccagin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GFZSBWIGTNTNKS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-16-11(17)8-7-10-12(18)13(19)14(21-15(10)16)9-5-3-2-4-6-9/h2-8,17,19H,1H3

> <SMILES>
C1(O)=C(OC)C2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14079475

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$