LMPK12112529
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.8556    7.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8556    6.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5181    6.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    6.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    7.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5181    7.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8431    6.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5056    6.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5056    7.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8431    7.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8431    5.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1682    7.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    7.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5185    7.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5185    8.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    8.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1682    8.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1810    7.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1682    6.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1994    6.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5181    5.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3689    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5056    8.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5056   10.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1810    8.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0319    8.4571    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
 14 18  1  0  0  0  0
  8 19  1  0  0  0  0
  1 21  1  0  0  0  0
  3 23  1  0  0  0  0
 17 25  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112529

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5'-hydroxy-3,5,7,2',4'-pentamethoxyflavone

> <FORMULA>
C20H20O8

> <MASS>
388.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FEPHVCACIOGMKO-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14630682

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$