LMPK12112138
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.6424   11.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6424   10.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4709    9.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2995   10.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2995   11.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4709   11.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1280    9.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9565   10.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9565   11.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1280   11.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1280    8.8507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7848   11.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   11.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4736   11.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4736   12.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   12.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7848   12.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9217    9.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3179   12.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4709    8.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   13.9469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7296    8.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8898    6.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2445    5.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1779    7.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0030    8.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9069    7.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9859    6.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1632    6.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2594    6.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4367    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4987    6.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3300    7.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    7.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0992    8.0996    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
 18  8  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  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  1     0  0
 27 18  1  1     0  0
 28 23  1  6     0  0
 29 24  1  1     0  0
 30 25  1  6     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 34 36  2  0     0  0
M  END
> <LM_ID>
LMPK12112138

> <COMMON_NAME>
Quercetin 3-(6''-acetylglucoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H22O13

> <MASS>
506.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IGLUNMMNDNWZOA-LNNZMUSMSA-N

> <INCHI>
InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/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](COC(=O)C)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
177072

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10006384

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$