LMPK12111366
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2425    7.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2425    6.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    5.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6188    6.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6188    7.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    7.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069    5.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9951    6.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9951    7.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069    7.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069    5.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    7.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3846    7.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0858    7.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0858    8.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3846    8.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    8.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    5.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7741    8.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6579    8.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    8.2201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0019    8.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111366

> <COMMON_NAME>
Bucegin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Galangustin

> <INCHI_KEY>
MRQSJFKGZKPPNM-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=C(OC)C2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14353377

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$