LMPK12050259
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   10.4710    9.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3580    9.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2451    9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1315    9.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1315    8.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0514    7.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9708    8.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9708    9.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0514    9.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3583    8.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2451    7.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0514    6.4359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8897    7.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8897    6.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7688    5.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6478    6.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6478    7.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7688    8.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2282    6.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5270    8.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3977    6.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0743    6.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4573    7.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7736    6.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1088    7.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940    9.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802    9.0043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6318    9.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6249    8.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7804    7.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9481    8.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9549    9.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    9.6251    0.0000 C   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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 11 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  1     0  0
 28  1  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12050259

> <COMMON_NAME>
Pratensein 7-O-glucoside

> <SYSTEMATIC_NAME>
5,7,3'-Trihydroxy-4'-methoxyisoflavone 7-O-glucoside

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGAAKLDKKBMYCB-RECXWPGBSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-30-14-3-2-9(4-12(14)24)11-8-31-15-6-10(5-13(25)17(15)18(11)26)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3/t16-,19-,20+,21-,22-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=C(O)C2C(=O)C(C3C=C(O)C(OC)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16202157

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 34205

> <CITATION>
-

$$$$