LMPK12140424
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.7125    6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4258    5.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1389    6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1389    7.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4258    7.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125    7.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8521    5.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5653    6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5653    7.0581    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8521    7.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2779    7.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8521    5.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0094    7.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    7.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    8.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0094    8.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2779    8.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4258    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4728    8.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4728    9.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411   10.0039    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0094    9.5815    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2791   10.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411   10.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8883   10.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1260    9.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4716    7.0477    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 16  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140424

> <COMMON_NAME>
Sigmoidin G

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O8

> <MASS>
388.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UHWLHTOOVRRTDW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O8/c1-20(2)19(26)17(25)10-3-8(4-13(24)18(10)28-20)14-7-12(23)16-11(22)5-9(21)6-15(16)27-14/h3-6,14,17,19,21-22,24-26H,7H2,1-2H3

> <SMILES>
C1C(O)=CC2OC(C3C=C4C(O)C(O)C(C)(C)OC4=C(O)C=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
156111

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608001

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$