LMPK12110061
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.2322    7.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2241    6.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    6.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878    6.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960    7.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9183    7.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2655    6.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9516    6.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9597    7.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2820    7.6823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2573    5.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6458    7.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3366    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0357    7.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0441    8.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534    8.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6543    8.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7176    8.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7791    7.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9386    5.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534    9.6520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   10.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
 16 23  1  0  0  0  0
  2 21  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110061

> <COMMON_NAME>
Grantionin

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XEVXJBGZWXMMBZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-21-11-4-10(5-12(6-11)22-2)16-8-14(19)13-7-18(23-3)15(20)9-17(13)24-16/h4-9,20H,1-3H3

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C=C(OC)C=3)=CC(=O)C=2C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14861188

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$