LMPK12050196
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    7.5832    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5832    8.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4341    7.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2850    8.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2850    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4341    9.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    7.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9869    8.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9869    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    9.6013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8376    7.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8376    6.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7473    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6571    6.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6571    7.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7473    8.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    6.6541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5659    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4341    6.6541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4341   10.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5836   11.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5836   12.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7330   12.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4341   12.5480    0.0000 C   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
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050196

> <COMMON_NAME>
Lupiwighteone

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-8-prenylisoflavone

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-(4-Hydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 8-Prenylgenistein

> <INCHI_KEY>
YGCCASGFIOIXIN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=CC=C(O)C=C3)=COC=2C=1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038902

> <CHEBI_ID>
185842

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317480

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3873

> <CITATION>
-

$$$$