LMPK12112690
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.9953   -5.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9953   -6.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8208   -7.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6462   -6.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6462   -5.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8208   -5.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4717   -7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2971   -6.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2971   -5.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4717   -5.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4717   -8.3084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1226   -5.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9639   -5.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8051   -5.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8051   -4.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9639   -3.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1226   -4.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8208   -8.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6306   -4.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1699   -5.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1226   -7.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1699   -4.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1226   -8.3554    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
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMPK12112690

> <COMMON_NAME>
Kumatakenin

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-3,7-dimethoxyflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Kumatakillin; 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one; Jaranol

> <INCHI_KEY>
BJBUTJQYZDYRMJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
176665

> <ABBREVIATION>
-

> <CAYMAN_ID>
35514

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318869

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 125257

> <CITATION>
-

$$$$