LMPK12112678
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.4320    7.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4320    6.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1251    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8182    6.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8182    7.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1251    8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2044    6.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2044    7.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113    8.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113    5.7540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8975    8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6039    7.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3103    8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3103    8.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6039    9.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8975    8.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0034    9.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6709    8.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2004    7.3546    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6709    6.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4002    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8975    6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9765    7.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1251    5.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0153    5.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  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
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  2  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  3 27  1  0  0  0  0
  8 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112678

> <COMMON_NAME>
Vellokaempferol 3,5-dimethyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O6

> <MASS>
380.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FRJBYSJHGINKNZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O6/c1-11(2)15-9-14-16(27-15)10-17-18(21(14)25-3)19(24)22(26-4)20(28-17)12-5-7-13(23)8-6-12/h5-8,10,15,23H,1,9H2,2-4H3

> <SMILES>
C12OC(C(=C)C)CC1=C(OC)C1C(=O)C(OC)=C(C3C=CC(O)=CC=3)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259649

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$