LMPK12110413
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.2827    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2827    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5678    7.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8528    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8528    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5678    6.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9977    6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7126    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7126    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9977    7.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4275    7.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1425    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8575    7.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8575    8.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1425    8.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4275    8.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9977    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5725    8.9627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1378    7.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5678    5.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1378    6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4240    6.4853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7114    6.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4240    7.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7114    5.2524    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  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  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
 18 14  1  0  0  0  0
  4 19  1  0  0  0  0
  6 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
> <LM_ID>
LMPK12110413

> <COMMON_NAME>
Dinklagin C

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PDONMPUBRSPUSC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-10(2)14(22)7-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)11-3-5-12(21)6-4-11/h3-6,8-9,14,21-23,25H,1,7H2,2H3

> <SMILES>
C12C(=O)C=C(C3C=CC(O)=CC=3)OC=1C=C(O)C(CC(O)C(=C)C)=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257866

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$