LMPK12113331
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.5483    8.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5483    7.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3642    7.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1800    7.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1800    8.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3642    9.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9959    7.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116    7.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116    8.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9959    9.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9959    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6274    9.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4589    8.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2904    9.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2904   10.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4589   10.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6274   10.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3642    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4589   11.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1062   10.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3642   10.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6340   10.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6274    7.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8974    8.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.6531    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
 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
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  6 22  1  0  0  0  0
  8 24  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113331

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone

> <FORMULA>
C18H16O9

> <MASS>
376.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YQCBMLNWGMLSHD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O9/c1-24-16-12(22)10-11(21)13(23)17(25-2)18(26-3)15(10)27-14(16)7-4-5-8(19)9(20)6-7/h4-6,19-21,23H,1-3H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180429

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260066

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 28913

> <CITATION>
-

$$$$