LMPK12112086
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.7262   11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419   10.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6022   10.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4468   10.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4312   11.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5709   12.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3074   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1520   10.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1363   11.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2759   12.4499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3197    9.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9808   12.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8577   11.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7185   12.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7024   13.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8257   13.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9649   13.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8661   12.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1587   10.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5631   14.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6181    9.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8095   14.9988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   10.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7574    9.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7574    8.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743    8.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9911    8.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9911    9.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743    7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6406   10.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   11.3419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6406    8.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1531    6.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  7 11  2  0     0  0
  9 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 12  1  0     0  0
  1 18  1  0     0  0
 19  8  1  0     0  0
 15 20  1  0     0  0
  3 21  1  0     0  0
 16 22  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 23  1  0     0  0
 28 19  1  1     0  0
 26 29  1  1     0  0
 24 30  1  1     0  0
 23 31  1  6     0  0
 25 32  1  6     0  0
 29 33  1  0     0  0
M  END
> <LM_ID>
LMPK12112086

> <COMMON_NAME>
Isoquercitrin

> <SYSTEMATIC_NAME>
3,5,7,3',4'-Pentahydroxyflavone 3-beta-D-glucoside

> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Hirsutrin; Quercetin 3-beta-D-glucoside

> <INCHI_KEY>
OVSQVDMCBVZWGM-QSOFNFLRSA-N

> <INCHI>
InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
C05623

> <HMDB_ID>
-

> <CHEBI_ID>
68352

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280804

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 34274

> <CITATION>
-

$$$$