LMPK12050104
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.5731    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5731    8.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4136    7.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2539    8.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2539    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4136    9.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944    7.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    8.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944    9.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7754    7.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7754    6.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6739    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5726    6.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5726    7.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6739    8.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0944    6.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4131    6.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.9171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  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
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050104

> <COMMON_NAME>
Glycitein

> <SYSTEMATIC_NAME>
7,4'-Dihydroxy-6-methoxyisoflavone

> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DXYUAIFZCFRPTH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1OC

> <KEGG_ID>
C14536

> <HMDB_ID>
HMDB0005781

> <CHEBI_ID>
34778

> <ABBREVIATION>
-

> <CAYMAN_ID>
14162

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317750

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 149663

> <CITATION>
-

$$$$