LMPK12050335
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   10.2188    9.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1066    9.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    9.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8817    9.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8817    8.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8020    7.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7226    8.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7226    9.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8020    9.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1069    8.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    7.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8083    6.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6422    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6422    6.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5222    5.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4020    6.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4020    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5222    7.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2820    5.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    6.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6684    6.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2052    7.6549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    6.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8731    7.6784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500    9.5932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1481    8.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    9.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3769    8.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5365    7.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7083    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7150    9.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867    9.6048    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
 16 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 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  1     0  0
 27  1  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12050335

> <COMMON_NAME>
5-O-Methylgenistein 7-O-glucoside

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

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KSVVGBSBNPMXJF-RECXWPGBSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-29-14-6-12(31-22-21(28)20(27)19(26)16(8-23)32-22)7-15-17(14)18(25)13(9-30-15)10-2-4-11(24)5-3-10/h2-7,9,16,19-24,26-28H,8H2,1H3/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(OC)C2C(=O)C(C3C=CC(O)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
189922

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3902

> <CITATION>
-

$$$$