LMPK12120379
  LIPID_MAPS_STRUCTURE_DATABASE

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.1415    8.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1415    7.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8561    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5706    7.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5706    8.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8561    9.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2851    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9997    7.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7139    7.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4282    7.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1488    7.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8694    7.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8694    8.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1488    9.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4282    8.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2851    6.7356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7139    6.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5897    9.0402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5897    7.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    6.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7127    6.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7127    5.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4273    9.0297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2849    9.0297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5897    6.5244    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3269    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8525    6.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0641    6.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3269    5.2475    0.0000 C   0  0  0  0  0  0  0  0  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  1  0  0  0  0
 20  2  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  5 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120379

> <COMMON_NAME>
Glyinflanin E

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O6

> <MASS>
424.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VYEJOOFTJRPOCV-UUYOSTAYSA-N

> <INCHI>
InChI=1S/C25H28O6/c1-14(2)5-6-17-10-19(25(31)13-23(17)29)24(30)12-22(28)16-7-8-20(26)18(9-16)11-21(27)15(3)4/h5,7-10,12-13,21,26-29,31H,3,6,11H2,1-2,4H3/b22-12-

> <SMILES>
C1(O)=CC(O)=C(C(=O)/C=C(\O)/C2C=CC(O)=C(CC(O)C(C)=C)C=2)C=C1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168190

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607643

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$