LMPK12112679
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.0113    9.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0113    8.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    7.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6931    8.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6931    9.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    9.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5339    7.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3748    8.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3748    9.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5339    9.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5339    6.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2158    9.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0729    9.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9298    9.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9298   10.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0729   11.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2158   10.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7708   11.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0878    9.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5170    8.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0878    8.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5462    8.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521   10.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9321    6.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2158    7.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250    8.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
 28 29  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
  6 25  1  0  0  0  0
  3 26  1  0  0  0  0
  8 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112679

> <COMMON_NAME>
8-C-Methylvellokaempferol 3,5-dimethyl ether

> <SYSTEMATIC_NAME>
4'-Hydroxy-3,5-dimethoxy-8-methyl-5"-isopropenyl-4",5"-dihydrofurano[2,3:7,6]flavone

> <FORMULA>
C23H22O6

> <MASS>
394.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NKFTUEUJDUEFQR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H22O6/c1-11(2)16-10-15-19(28-16)12(3)20-17(22(15)26-4)18(25)23(27-5)21(29-20)13-6-8-14(24)9-7-13/h6-9,16,24H,1,10H2,2-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259650

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 16383

> <CITATION>
-

$$$$