LMPK12112996
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7458    8.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458    7.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6107    7.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4758    7.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4758    8.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6107    9.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3408    7.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2058    7.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2058    8.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3408    9.3570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3408    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0707    9.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9522    8.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8339    9.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8339   10.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9522   10.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0707   10.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0707    7.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8808    9.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6107    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9522   11.8827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8808    7.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6988   10.8744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5370   10.3904    0.0000 C   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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 23  1  0  0  0  0
  2 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112996

> <COMMON_NAME>
Laciniatin

> <SYSTEMATIC_NAME>
4',6-dimethoxy-3,3?,5,7-tetrahydroxyflavone

> <FORMULA>
C17H14O8

> <MASS>
346.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
quercetagetin 6,4?-dimethyl ether

> <INCHI_KEY>
MBAMSENKVRMPKA-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(OC)=CC=3)=C(O)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0130263

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15291051

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1550831

> <CITATION>
-

$$$$