LMPK12050097
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   10.7417    9.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6497    9.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5580    9.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4656    9.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4656    8.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4072    7.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3486    8.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3486    9.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4072    9.7212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6501    8.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5580    7.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4072    6.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2892    7.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2892    6.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1893    5.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0893    6.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0893    7.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1893    8.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7727    6.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9067    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4837    6.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7627    8.0335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8284    8.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8773    9.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2966   10.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9038   11.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7767    9.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2873    8.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3177    8.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8423    9.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3318   10.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8563   11.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9066    6.7337    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
 10 20  1  0  0  0  0
 19 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
 20 33  1  0     0  0
M  END
> <LM_ID>
LMPK12050097

> <COMMON_NAME>
Afrormosin 7-O-glucoside

> <SYSTEMATIC_NAME>
7-Hydroxy-6,4'-dimethoxyisoflavone 7-O-glucoside

> <FORMULA>
C23H24O10

> <MASS>
460.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Wistin

> <INCHI_KEY>
YLYJXNTZVUEFJZ-DODNOZFWSA-N

> <INCHI>
InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C(OC)=CC2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191449

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10095770

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3879

> <CITATION>
-

$$$$