LMPK12111579
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.3685    7.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3685    8.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4899    9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6113    8.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6113    7.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4899    7.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2471    7.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1258    7.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1257    8.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2471    9.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0043    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8828    8.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613    9.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613   10.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8828   10.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0041   10.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2471    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0045    7.0753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6400   10.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8828   11.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1668   11.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6385    8.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5157    9.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
  8 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111579

> <COMMON_NAME>
Laurentinol

> <SYSTEMATIC_NAME>
3,7,4'-trihydroxy-3',5'-dimethoxyflavone

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one

> <INCHI_KEY>
HORABUFWIBXDQQ-UHFFFAOYSA-N

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

> <SMILES>
C12C(=O)C(O)=C(C3C=C(OC)C(O)=C(OC)C=3)OC=1C=C(O)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15895793

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2747815

> <CITATION>
-

$$$$