LMPK12050085
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0     0  0            999 V2000
    7.5729   10.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5729    9.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4134    9.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2539    9.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2539   10.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4134   10.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944    9.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    9.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349   10.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944   10.9816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   10.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7752    9.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7752    8.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6739    7.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5725    8.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5725    9.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6739    9.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944    8.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8896    6.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9216    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3437    7.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8775    7.4847    0.0000 O   0  0  0  0  0  0  0  0  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
  1 11  1  0  0  0  0
  8 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 17  2  0  0  0  0
 17 12  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
 13 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050085

> <COMMON_NAME>
Glyzaglabrin

> <SYSTEMATIC_NAME>
7,2'-Dihydroxy-3',4'-methylenedioxyisoflavone

> <FORMULA>
C16H10O6

> <MASS>
298.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GRMSSCUVELGNHC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O6/c17-8-1-2-10-13(5-8)20-6-11(14(10)18)9-3-4-12-16(15(9)19)22-7-21-12/h1-6,17,19H,7H2

> <SMILES>
C1(O)=CC2OC=C(C3C=CC4OCOC=4C=3O)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033859

> <CHEBI_ID>
174835

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317777

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
-

$$$$