LMPK12050073
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    7.5668   10.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    9.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009    9.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2351    9.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2351   10.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009   11.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    9.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    9.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   10.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   11.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7377    9.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7377    8.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6295    7.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5213    8.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5213    9.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6295    9.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    8.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5008    7.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1061    8.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5008    9.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009   12.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668   12.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668   13.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   14.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009   14.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6295   10.6653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7008   11.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6295    6.6791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7009    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
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  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
 13 29  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050073

> <COMMON_NAME>
Preferrugone

> <SYSTEMATIC_NAME>
7-Hydroxy-2',5'-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>
MPXZANSYFFXBJX-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C=CC2C(=O)C(C3=C(OC)C4OCOC=4C(OC)=C3)=COC=2C=1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14730814

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1096003

> <CITATION>
-

$$$$