LMPK12050420
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.5356   10.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5356    9.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3656    9.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    9.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957   10.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3656   11.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0258    9.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8558    9.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8558   10.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0258   11.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6860    9.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6860    8.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5734    7.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    8.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    9.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5734    9.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6240   11.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6240    9.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3656    8.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0258    8.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2910    9.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5734    6.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6396    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2910    7.9678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5834    8.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 25 26  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
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 15 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050420

> <COMMON_NAME>


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

> <FORMULA>
C18H14O8

> <MASS>
358.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PFFOGGCBLWTCPM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O8/c1-22-12-4-8(3-10(19)17(12)23-2)9-6-24-11-5-13-18(26-7-25-13)16(21)14(11)15(9)20/h3-6,19,21H,7H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188245

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5316653

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 34205

> <CITATION>
-

$$$$