LMPK12050296
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    7.6064   11.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6064   10.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447   10.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2829   10.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2829   11.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447   12.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1212   10.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9594   10.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9594   11.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1212   12.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331   10.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331    9.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7294    8.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6255    9.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6255   10.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7294   10.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1212    9.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447    9.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4993    8.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7294    7.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4993   10.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3731   10.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2469   10.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1208   10.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2469   11.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7294   11.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7204    7.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2249    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6032    7.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6032    6.3606    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
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 16 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
> <LM_ID>
LMPK12050296

> <COMMON_NAME>
Fremontone

> <SYSTEMATIC_NAME>
5,7,2',4'-Tetrahydroxy-3'-prenyl-5'-(1''',1'''-dimethylallyl)isoflavone

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DKOOBSCWJFTXKX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-6-25(4,5)18-11-16(22(28)15(23(18)29)8-7-13(2)3)17-12-31-20-10-14(26)9-19(27)21(20)24(17)30/h6-7,9-12,26-29H,1,8H2,2-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5487269

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 248533

> <CITATION>
2681536

$$$$