LMPK12112871
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.2505    7.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2505    6.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    6.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6428    6.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6428    7.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    7.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391    6.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0351    6.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0351    7.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3390    7.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391    5.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7314    7.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4408    7.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1503    7.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1503    8.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4408    9.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7314    8.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7314    6.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    5.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8465    9.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7406    8.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 23  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112871

> <COMMON_NAME>
Betuletol

> <SYSTEMATIC_NAME>
6,4'-Dimethoxy-3,5,7-trihydroxyflavone

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MSLBFGWANLXSOK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,18,20-21H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5459196

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$