LMPK12050370
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    7.5473   10.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5473    9.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3839    9.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2205    9.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2205   10.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3839   11.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    9.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8938    9.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8938   10.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571   11.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7304    9.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7304    8.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250    7.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5195    8.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5195    9.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   10.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6285   11.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6285    9.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    8.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3561    9.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3839    8.5303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4584    7.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250    6.9811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6995    6.3606    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
  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  7 20  2  0  0  0  0
 15 21  1  0  0  0  0
 13 24  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050370

> <COMMON_NAME>
Isoiriskashmirianin

> <SYSTEMATIC_NAME>
3'-Hydroxy-5,5'-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>
DLVQIIYSDXYGEG-UHFFFAOYSA-N

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

> <SMILES>
C12OCOC1=C(OC)C1C(=O)C(C3=CC(O)=CC(OC)=C3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14539328

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 26378

> <CITATION>
-

$$$$