LMPK12110126
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.5353   -6.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5353   -7.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3767   -7.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2182   -7.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2182   -6.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3767   -5.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0596   -7.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9011   -7.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9011   -6.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0596   -5.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0596   -8.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7425   -5.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6001   -6.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4577   -5.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4577   -4.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6001   -4.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7425   -4.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3767   -8.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6001   -7.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6938   -5.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8278   -6.2238    0.0000 C   0  0  0  0  0  0  0  0  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
 13 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMPK12110126

> <COMMON_NAME>
Echioidinin

> <SYSTEMATIC_NAME>
5,2'-dihydroxy-7-methoxyflavone

> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-Hydroxy-2-(2-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
PXFLNHWWYOVFDA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-9-6-12(18)16-13(19)8-14(21-15(16)7-9)10-4-2-3-5-11(10)17/h2-8,17-18H,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15559079

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1752146

> <CITATION>
-

$$$$