LMPK12112550
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7278    6.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7278    7.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0033    7.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2789    7.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2789    6.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0033    6.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4521    6.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1766    6.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1765    7.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4521    7.9270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9009    7.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6253    7.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3497    7.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3497    8.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6253    9.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9008    8.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4521    5.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.9270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9010    6.2541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0033    5.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0741    9.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7986    8.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6253    9.8643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7266    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0349   10.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
  8 19  1  0  0  0  0
  6 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112550

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,7-Dihydroxy-5,3',4'-trimethoxyflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVPXWOZUJXXSRX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-11-5-4-9(6-12(11)23-2)18-17(21)16(20)15-13(24-3)7-10(19)8-14(15)25-18/h4-8,19,21H,1-3H3

> <SMILES>
C12C(=O)C(O)=C(C3C=C(OC)C(OC)=CC=3)OC=1C=C(O)C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14234929

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$