LMPK12112991
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.2378    7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2378    6.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    6.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6045    6.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6045    7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    7.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2879    6.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9713    6.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9713    7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2879    7.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2879    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6547    7.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3512    7.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0477    7.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0477    8.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3512    8.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6547    8.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3512    9.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7311    8.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6547    6.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7185    6.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112991

> <COMMON_NAME>
Tomentin

> <SYSTEMATIC_NAME>
5,6,3',4'-Tetrahydroxy-3,7-dimethoxyflavone

> <FORMULA>
C17H14O8

> <MASS>
346.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,7-Dimethylquercetagetin

> <INCHI_KEY>
WGWGXVOAFMLMJZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)13(11)20)15(22)17(24-2)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1O

> <KEGG_ID>
C04581

> <HMDB_ID>
-

> <CHEBI_ID>
27767

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
148856

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$