LMPK12111250
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.2990   -5.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990   -6.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0669   -7.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8347   -6.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8347   -5.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0669   -5.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6025   -7.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3703   -6.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3703   -5.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6025   -5.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1382   -5.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9518   -5.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7656   -5.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7656   -4.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9518   -4.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1382   -4.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6025   -8.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -5.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -7.2288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5335   -5.8991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5335   -4.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0669   -8.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5308   -4.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650   -6.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2009   -8.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5334   -6.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3995   -4.5726    0.0000 C   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
  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
  2 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
  3 22  1  0  0  0  0
  1 18  1  0  0  0  0
 18 23  1  0     0  0
 19 24  1  0     0  0
 22 25  1  0     0  0
 20 26  1  0     0  0
 21 27  1  0     0  0
M  END
> <LM_ID>
LMPK12111250

> <COMMON_NAME>
Sinensetin

> <SYSTEMATIC_NAME>
5,6,7,3',4'-Pentamethoxyflavone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pedalitin permethyl ether

> <INCHI_KEY>
LKMNXYDUQXAUCZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3

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

> <KEGG_ID>
C10186

> <HMDB_ID>
HMDB0036633

> <CHEBI_ID>
9159

> <ABBREVIATION>
-

> <CAYMAN_ID>
19751

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
145659

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 228514

> <CITATION>
-

$$$$