LMPK12050188
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    8.7521   10.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7521    9.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    8.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476    9.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476   10.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   11.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455    8.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3432    9.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3432   10.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455   11.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2403    8.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2403    7.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0727    7.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9055    7.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9055    8.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0727    9.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609   10.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    7.5095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455    8.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8550    8.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8550    7.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9577    7.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9577    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    7.9143    0.0000 O   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  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 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 19  2  0  0  0  0
  2 20  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
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050188

> <COMMON_NAME>
Wighteone

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-6-prenylisoflavone

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Erythrinin B

> <INCHI_KEY>
KIMDVVKVNNSHGZ-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1C/C=C(/C)\C

> <KEGG_ID>
C10542

> <HMDB_ID>
-

> <CHEBI_ID>
10038

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281814

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49828

> <CITATION>
-

$$$$