LMPK12113013
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.2978   -6.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2978   -7.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1062   -7.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9144   -7.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9144   -6.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1062   -5.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7228   -7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5312   -7.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5312   -6.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7228   -5.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7228   -8.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3395   -5.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1633   -6.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9871   -5.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9871   -4.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1633   -4.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3395   -4.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3395   -7.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1633   -3.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4895   -7.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7955   -4.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8337   -4.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4895   -5.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1062   -8.6053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402   -9.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6235   -7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4894   -4.8051    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
 16 19  1  0  0  0  0
  2 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0     0  0
 20 26  1  0     0  0
 23 27  1  0     0  0
M  END
> <LM_ID>
LMPK12113013

> <COMMON_NAME>
Eupatoretin

> <SYSTEMATIC_NAME>
5,6,7,4'-tetramethoxy-3,3'-dihydroxyflavone

> <FORMULA>
C19H18O8

> <MASS>
374.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one

> <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; 103755

> <CITATION>
-

$$$$