LMPK12050185
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   10.4331    9.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4331    8.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1276    8.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1276    9.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    9.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9748    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8220    8.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8220    9.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9748    9.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6691    7.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6691    6.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5749    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4808    6.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4808    7.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5749    8.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9748    6.6515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    6.6515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803   10.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4214   11.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4214   12.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   12.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5636   12.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5026    9.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9276    8.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5026    7.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9497    8.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4606    9.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4606    7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3858    6.0612    0.0000 O   0  0  0  0  0  0  0  0  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  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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  2  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050185

> <COMMON_NAME>
Senegalensin

> <SYSTEMATIC_NAME>
2-(1-Hydroxy-1-methylethyl)-4-hydroxy-6-(4-hydroxyphenyl)-9-(3-methyl-2-butenyl)-2,3-dihydro-5H-furo[3,2-g][1]benzopyran-5-one

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LKFQSODZCVNSSG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-13(2)5-10-16-23-17(11-19(31-23)25(3,4)29)21(27)20-22(28)18(12-30-24(16)20)14-6-8-15(26)9-7-14/h5-9,12,19,26-27,29H,10-11H2,1-4H3

> <SMILES>
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C(C3=CC=C(O)C=C3)=COC=1C=2C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
195652

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3841

> <CITATION>
2089116

$$$$