LMPK12050028
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    7.1662    9.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1662    8.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9854    7.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8044    8.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8044    9.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9854    9.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6235    7.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4426    8.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4426    9.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6234    9.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3141    7.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3141    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1900    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0656    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0656    7.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1900    8.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6235    6.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9370    6.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8084    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6799    6.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5513    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4227    6.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5513    7.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   11.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 18 14  1  0  0  0  0
 18 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
M  END
> <LM_ID>
LMPK12050028

> <COMMON_NAME>
Durlettone

> <SYSTEMATIC_NAME>
7-Methoxy-4'-(3-methyl-2-butenyloxy)isoflavone

> <FORMULA>
C21H20O4

> <MASS>
336.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HVGQBDGAJOAKIO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O4/c1-14(2)10-11-24-16-6-4-15(5-7-16)19-13-25-20-12-17(23-3)8-9-18(20)21(19)22/h4-10,12-13H,11H2,1-3H3

> <SMILES>
C1(OC)=CC2OC=C(C3C=CC(OC/C=C(\C)/C)=CC=3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166643

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3693845

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62119

> <CITATION>
-

$$$$