LMPK12110955
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.2908   -5.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2908   -6.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143   -7.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9378   -6.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9378   -5.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143   -5.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613   -7.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5848   -6.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5848   -5.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613   -5.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613   -8.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4081   -5.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2474   -5.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0866   -5.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0866   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2474   -3.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4081   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4675   -5.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9258   -3.9425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143   -8.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1718   -8.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6442   -5.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4841   -5.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9074   -4.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3306   -5.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3327   -6.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5159   -4.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 23 22  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110955

> <COMMON_NAME>
7-(3-methyl-2,3-epoxybutoxy)flavone-thevetiaflavone

> <SYSTEMATIC_NAME>
4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OBWXJUKMULORIR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-21(2)19(27-21)11-25-14-8-17(24-3)20-15(23)10-16(26-18(20)9-14)12-4-6-13(22)7-5-12/h4-10,19,22H,11H2,1-3H3

> <SMILES>
C1(OCC2C(C)(C)O2)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258305

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 746492

> <CITATION>
-

$$$$