LMPK12111594
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.3502    7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3502    8.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    9.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    8.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    7.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2227    7.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0953    7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0950    8.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2227    9.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9676    9.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8400    8.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7126    9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7126   10.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8400   10.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9675   10.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2227    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9678    7.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5850   10.8947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8400   11.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8388    7.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3681    0.0000 O   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
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111594

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Methoxy-6,7,3',4'-tetrahydroxyflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IPNIQWBEBIDVGQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-16-14(21)8-5-11(19)12(20)6-13(8)23-15(16)7-2-3-9(17)10(18)4-7/h2-6,17-20H,1H3

> <SMILES>
C12C(=O)C(OC)=C(C3C=C(O)C(O)=CC=3)OC=1C=C(O)C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258696

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1745064

> <CITATION>
-

$$$$