LMPK12050192
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    7.5730    9.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5730    8.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4135    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2539    8.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2539    9.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4135    9.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9348    8.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9348    9.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944    9.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7749    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7749    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6734    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5721    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5721    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6734    8.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944    6.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4135    6.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4697    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4697    8.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3674    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2651    8.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1628    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2651    9.4718    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 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>
LMPK12050192

> <COMMON_NAME>
Isowighteone

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-3'-prenylisoflavone

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3'-Prenylgenistein

> <INCHI_KEY>
SWDSVBNAMCDHTF-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037920

> <CHEBI_ID>
69749

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5494866

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62113

> <CITATION>
-

$$$$