LMPK12110725
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.0971    7.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0971    6.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8241    6.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5512    6.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5512    7.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8241    7.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2782    6.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0053    6.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0053    7.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2782    7.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2782    5.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7321    7.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4730    7.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2140    7.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2140    8.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4730    9.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7321    8.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3703    7.7656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3703    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435    6.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183    6.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183    5.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8229    8.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8241    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4730    9.7146    0.0000 O   0  0  0  0  0  0  0  0  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
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 15 24  1  0  0  0  0
  3 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110725

> <COMMON_NAME>
Demethyltorosaflavone D

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H12O8

> <MASS>
356.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WDORQCNPRNPVNA-DUXPYHPUSA-N

> <INCHI>
InChI=1S/C18H12O8/c19-10-3-1-8(5-12(10)21)14-7-13(22)17-15(26-14)6-11(20)9(18(17)25)2-4-16(23)24/h1-7,19-21,25H,(H,23,24)/b4-2+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166625

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258148

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$