LMPK12113241
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.7283   -9.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7283  -10.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5567  -11.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3851  -10.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3851   -9.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5567   -9.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2133  -11.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417  -10.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -9.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2133   -9.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2133  -12.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8700   -9.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7143   -9.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5585   -9.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5585   -8.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7143   -7.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8700   -8.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8700  -11.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8998   -9.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5567  -12.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3869   -7.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7143   -6.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0037   -6.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5567   -8.3155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8460   -7.5710    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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113241

> <COMMON_NAME>
Limocitrin

> <SYSTEMATIC_NAME>
3,4',5,7-tetrahydroxy-3',8-dimethoxyflavone

> <FORMULA>
C17H14O8

> <MASS>
346.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Sedoflorigenin;

> <INCHI_KEY>
IBXCKSUZOFKGSB-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=C(OC)C2OC(C3C=C(OC)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029516

> <CHEBI_ID>
168450

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5489485

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2708

> <CITATION>
-

$$$$