LMPK12050079
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0  0  0  0  0  0  0  0999 V2000
    7.6373    9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6373    8.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3316    7.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0259    8.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0259    9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3316    9.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7202    7.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4145    8.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4145    9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7202    9.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1088    7.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1088    6.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    6.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5935    6.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5935    7.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    8.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7202    7.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9432    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430    9.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2487    9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2487    8.2381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4469    9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8478    9.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    5.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5935    5.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3358    6.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3358    5.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7367    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1376    5.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4145    6.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4145    5.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  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
  8 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
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 14  1  0  0  0  0
 21 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 26  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050079

> <COMMON_NAME>
Mundulone

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H26O6

> <MASS>
434.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KJTDZAHLWHEULN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H26O6/c1-25(2)9-8-16-19(31-25)7-6-15(24(16)29-5)18-13-30-21-12-20-14(10-17(21)23(18)28)11-22(27)26(3,4)32-20/h6-10,12-13,22,27H,11H2,1-5H3

> <SMILES>
C12OC(C)(C)C(O)CC1=CC1C(=O)C(C3C=CC4OC(C)(C)C=CC=4C=3OC)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185207

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4587968

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$