LMPK12140724
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.4801   -6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4801   -7.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3598   -7.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2393   -7.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2393   -6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3598   -5.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1189   -7.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9986   -7.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9986   -6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1189   -5.5455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1189   -8.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8777   -5.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7744   -6.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6708   -5.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6708   -4.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7744   -3.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8777   -4.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6009   -5.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3598   -8.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4365   -3.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8777   -7.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6546   -6.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4112   -6.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5670   -8.7939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9682   -9.8938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9318   -7.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4615   -9.9988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7335   -6.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6118   -7.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6886   -8.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8892   -8.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0109   -8.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2114   -9.0594    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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  6  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
  8 21  1  1  0  0  0
 14 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 22  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>
LMPK12140724

> <COMMON_NAME>
Taxifolin 3'-glucoside

> <SYSTEMATIC_NAME>
(2R,3R)-3,3',4',5,7-Pentahydroxyflavan-4-one 3'-glucoside

> <FORMULA>
C21H22O12

> <MASS>
466.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CZOXIGOPZRIBJM-JUIPTLLLSA-N

> <INCHI>
InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)[C@@H](O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14282774

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3357

> <CITATION>
-

$$$$