LMPK12113013
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.7050    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050    7.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3719    6.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0387    7.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0387    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3719    8.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    6.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3725    7.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3725    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    8.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    5.8470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0394    8.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7190    7.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3987    8.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3987    8.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7190    9.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0394    8.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0394    6.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7190   10.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0381    6.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0656    9.3269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9221    8.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0381    8.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0381    9.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3719    5.8469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3337    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
 16 19  1  0  0  0  0
  2 20  1  0  0  0  0
 15 22  1  0  0  0  0
  1 24  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113013

> <COMMON_NAME>
Eupatoretin

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H18O8

> <MASS>
374.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UEPKLBOJSLVOIP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-16(22)15(21)14-12(27-17)8-13(24-2)18(25-3)19(14)26-4/h5-8,20,22H,1-4H3

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(OC)=CC=3)=C(O)C(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
275525

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$