LMPK12110576
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    7.7162   12.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6925   11.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5468   10.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4244   11.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4480   12.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939   12.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2787   10.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1563   11.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1798   12.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3255   12.9378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2606   10.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0572   12.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9277   12.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8225   12.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8461   13.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9756   14.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0811   13.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8622   13.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1449   10.5373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6564   14.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5235    9.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9756   15.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6898   15.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6983    9.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3297    7.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4113    6.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9996    9.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8563    6.8307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390    8.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5530    7.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5938    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8173    8.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8580    7.8505    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  2  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  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
  1 18  1  0  0  0  0
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  0     0  0
 33 34  1  1     0  0
 29 19  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12110576

> <COMMON_NAME>
Isorhamnetin 3-glucoside

> <SYSTEMATIC_NAME>
2-(3-Methoxy-4-hydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C22H22O12

> <MASS>
478.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CQLRUIIRRZYHHS-LFXZADKFSA-N

> <INCHI>
InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)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>
-

> <HMDB_ID>
-

> <CHEBI_ID>
75750

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318645

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 54796

> <CITATION>
-

$$$$