LMPK12112213
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.4683   12.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4683   11.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2954   10.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1224   11.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1224   12.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2954   12.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9496   10.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7766   11.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7766   12.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9496   12.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9496    9.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8180   12.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6609   12.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5037   12.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5037   13.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6609   14.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8180   13.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2954    9.6590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6837   14.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140   10.4823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6609   15.1404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5435    9.9506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0478    8.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6240    6.6132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1535    8.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8669    9.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8316    9.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0831    8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3711    7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4065    7.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6945    7.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2999    7.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2640    6.7802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5879    6.3436    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
  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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
  4  3  1  0  0  0  0
 16 22  1  0  0  0  0
 31 26  1  0     0  0
 26 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  6     0  0
 27 21  1  1     0  0
 28 23  1  6     0  0
 29 24  1  6     0  0
 30 25  1  1     0  0
 24 33  1  0     0  0
 33 34  2  0     0  0
 33 35  1  0     0  0
M  END
> <LM_ID>
LMPK12112213

> <COMMON_NAME>
Quercetin 3-(3''-acetylrhamnoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H22O12

> <MASS>
490.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WIEJIBAASUWBGY-WSOJGYHASA-N

> <INCHI>
InChI=1S/C23H22O12/c1-8-17(29)21(33-9(2)24)19(31)23(32-8)35-22-18(30)16-14(28)6-11(25)7-15(16)34-20(22)10-3-4-12(26)13(27)5-10/h3-8,17,19,21,23,25-29,31H,1-2H3/t8-,17-,19+,21+,23-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100956675

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$