LMPK12111656
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.1360    8.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9774    7.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8189    7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8189    8.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9774    8.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6602    7.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5016    7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5016    8.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6602    8.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6602    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3432    8.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2008    8.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0582    8.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0582    9.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2008   10.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3432    9.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3432    7.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9774    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    8.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111656

> <COMMON_NAME>
Izalpinin

> <SYSTEMATIC_NAME>
3,5-Dihydroxy-7-methoxyflavone

> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-O-Methylgalangin

> <INCHI_KEY>
PVJNLMXWZXXHSZ-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318691

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 13394

> <CITATION>
-

$$$$