LMPK12050351
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.6655   10.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5597   10.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4532   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4532    8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3803    8.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3073    8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3073   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3803   10.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658    8.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5597    8.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3803    7.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2336    8.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2336    7.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1196    6.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0056    7.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0056    8.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1196    8.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7823    7.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5597    7.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8238   10.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9665   10.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7962    8.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5098    9.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2042    8.9653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4892    7.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9459    7.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6365    7.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6434    8.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5030    8.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3501    8.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3432    7.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1904    6.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6 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
 18 15  1  0  0  0  0
 10 19  1  0  0  0  0
  1 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 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  1     0  0
M  END
> <LM_ID>
LMPK12050351

> <COMMON_NAME>
Prunetin 4'-O-galactoside

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

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OFUWGCQDMVDLIR-WIXLDOGYSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19+,20+,21-,22-/m1/s1

> <SMILES>
C1(OC)C=C(O)C2C(=O)C(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
124708069

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53862

> <CITATION>
-

$$$$