LMPK12113247
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0959    8.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0959    7.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8972    6.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6986    7.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6986    8.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8972    8.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4999    6.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3012    7.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3012    8.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4999    8.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4999    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026    8.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9193    8.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7358    8.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7358    9.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9193   10.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026    9.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8972    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5371   10.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8972    9.7617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1446   10.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026    6.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500    7.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    8.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   10.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9193   11.1761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   11.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  6 20  1  0  0  0  0
  8 22  1  0  0  0  0
  1 24  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113247

> <COMMON_NAME>
Ternatin

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavone

> <FORMULA>
C19H18O8

> <MASS>
374.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Gossypetin 3,7,8,3'-tetramethyl ether

> <INCHI_KEY>
DGUWNYKZOJRCQQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O8/c1-23-12-7-9(5-6-10(12)20)16-19(26-4)15(22)14-11(21)8-13(24-2)17(25-3)18(14)27-16/h5-8,20-21H,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193934

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5459184

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 77015

> <CITATION>
-

$$$$