LMPK12112211
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.1951    9.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    8.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9154    7.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6356    8.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6356    9.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9154    9.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559    7.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0761    8.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0761    9.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559    9.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559    7.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7961    9.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5301    9.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2642    9.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2642   10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5301   10.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7961   10.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9154    7.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0576   10.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8708    7.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7876    5.8332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4637    5.8165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2537    6.3362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4764    6.9332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3428    6.7280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8399    6.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6909    5.8991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3409    6.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8606    6.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3409    5.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5301   11.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3733    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1766    5.4627    0.0000 O   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
  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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 23 27  1  6  0  0  0
 24 28  1  6  0  0  0
 25 21  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 16 32  1  0  0  0  0
 22 33  1  6  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112211

> <COMMON_NAME>
Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O12

> <MASS>
476.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RCFWRYSPIYCQHE-NZIIXAFUSA-N

> <INCHI>
InChI=1S/C22H20O12/c1-8(24)31-20-15(7-23)33-22(18(20)30)34-21-17(29)16-13(28)5-10(25)6-14(16)32-19(21)9-2-3-11(26)12(27)4-9/h2-6,15,18,20,22-23,25-28,30H,7H2,1H3/t15-,18+,20+,22-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259255

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$