LMPK12050405
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    7.5333   10.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5333    9.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3622    8.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1910    9.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1910   10.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3622   10.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0198    8.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8486    9.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8486   10.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0198   10.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6774    8.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6774    7.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5636    7.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4498    7.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4498    8.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5636    9.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0198    7.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6231   10.5840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6231    9.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5636    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3622    7.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4265    7.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2786    7.3508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5690    8.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050405

> <COMMON_NAME>
Iriskumaonin

> <SYSTEMATIC_NAME>
3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone

> <FORMULA>
C18H14O7

> <MASS>
342.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MIBAZEBIDCWHGM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O7/c1-21-12-4-3-9(5-11(12)19)10-7-23-13-6-14-17(25-8-24-14)18(22-2)15(13)16(10)20/h3-7,19H,8H2,1-2H3

> <SMILES>
C12OCOC1=C(OC)C1C(=O)C(C3C=CC(OC)=C(O)C=3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257359

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 995802

> <CITATION>
-

$$$$