LMPK12113150
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2390    6.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2390    6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083    6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083    6.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    7.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2930    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9775    6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9775    6.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2930    7.3777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6622    7.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3879    6.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1133    7.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1133    8.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3879    8.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6622    8.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2930    5.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    5.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7981    8.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6622    5.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    8.1683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1084    8.8523    0.0000 C   0  0  0  0  0  0  0  0  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
  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
  8 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113150

> <COMMON_NAME>
Sexangularetin

> <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>
AZFYHRHUTXBGJS-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C10185

> <HMDB_ID>
HMDB0132128

> <CHEBI_ID>
9131

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281698

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$