LMPK12050400
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.1600    9.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600    8.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9811    7.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8021    8.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8021    9.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9811    9.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6232    7.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4443    8.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4443    9.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6232    9.6430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2654    7.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2654    6.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1432    6.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0212    6.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0212    7.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1432    8.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6232    6.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9853    6.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5812    7.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9853    8.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3388    9.6430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9811   10.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600   11.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600   12.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9811   12.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3388   12.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3388    7.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9811    6.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  0  0  0  0
 29 30  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  2  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
  6 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
  3 29  1  0  0  0  0
  2 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050400

> <COMMON_NAME>
Pre-5-methoxydurmillone

> <SYSTEMATIC_NAME>
7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone

> <FORMULA>
C23H22O7

> <MASS>
410.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DVGPZIMBJLTERM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H22O7/c1-12(2)5-7-14-20(25)23(27-4)22(26-3)18-19(24)15(10-28-21(14)18)13-6-8-16-17(9-13)30-11-29-16/h5-6,8-10,25H,7,11H2,1-4H3

> <SMILES>
C1(O)C(OC)=C(OC)C2C(=O)C(C3=CC4OCOC=4C=C3)=COC=2C=1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14730817

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1096003

> <CITATION>
-

$$$$