LMPK12112871
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.5764    9.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5764    8.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4203    7.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640    8.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640    9.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4203    9.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1080    7.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9516    8.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9516    9.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1079    9.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1080    6.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7957    9.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6555    9.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5155    9.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5155   10.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6555   11.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7957   10.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7957    7.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4203    6.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3594   11.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4432   10.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3512    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>
3,5,7-Trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

> <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; 216992

> <CITATION>
-

$$$$