LMPK12111245
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7020    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7020    7.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2703    7.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2703    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861    6.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4179    6.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1337    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1337    7.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4179    8.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8496    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    7.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2813    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2813    8.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    9.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8496    8.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4179    5.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861    5.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9972    9.3806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2703    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9623    7.7476    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
  6 19  1  0  0  0  0
  5 20  1  0  0  0  0
 14 21  1  0  0  0  0
 19 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111245

> <COMMON_NAME>
Carajuflavone

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CDCVPVHYGWRUCI-UHFFFAOYSA-N

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

> <SMILES>
C12C(=O)C=C(C3C=CC(O)=C(O)C=3)OC=1C=C(O)C(O)=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9879941

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$