LMPK12112794
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.0844    8.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0844    7.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8742    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6639    7.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6639    8.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8742    8.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4537    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2433    7.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2433    8.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4536    8.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4537    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0330    8.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8377    8.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6427    8.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6427    9.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8377   10.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0330    9.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8742    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4325   10.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4325   11.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8377   11.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6084   11.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4325    8.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6619    9.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0331    6.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625    7.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    8.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   10.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  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
 14 23  1  0  0  0  0
  8 25  1  0  0  0  0
  1 27  1  0  0  0  0
 15 19  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112794

> <COMMON_NAME>
Combretol

> <SYSTEMATIC_NAME>
5-Hydroxy-3,3',4',5',7-pentamethoxyflavone

> <FORMULA>
C20H20O8

> <MASS>
388.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SUNUQCQIFHHEOW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70005

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12303802

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2998934

> <CITATION>
-

$$$$