LMPK12112074
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    7.4748   14.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748   13.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3088   12.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   13.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   14.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3088   14.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9769   12.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8109   13.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8109   14.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9769   14.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9769   12.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447   14.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4945   14.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3446   14.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3446   15.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4945   16.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447   15.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3088   11.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5345   16.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   14.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7310   12.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4945   17.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7233   12.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565   10.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3975    9.1235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5677   11.0324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9776    8.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1476   11.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1439   11.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5602   10.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9808   10.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9845   10.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4051    9.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9729    9.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9684    9.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3937    9.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5535    7.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    6.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5572    7.5004    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
 16 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  0     0  0
 32 33  1  1     0  0
 28 21  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  1     0  0
 24 34  1  0     0  0
 34 35  2  0     0  0
 34 36  1  0     0  0
 27 37  1  0     0  0
 37 38  1  0     0  0
 37 39  2  0     0  0
M  END
> <LM_ID>
LMPK12112074

> <COMMON_NAME>
Quercetin 3-(3'',6''-diacetylgalactoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O14

> <MASS>
548.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BLCDUEDQDVPFKV-WWQYCSPSSA-N

> <INCHI>
InChI=1S/C25H24O14/c1-9(26)35-8-17-19(32)23(36-10(2)27)21(34)25(38-17)39-24-20(33)18-15(31)6-12(28)7-16(18)37-22(24)11-3-4-13(29)14(30)5-11/h3-7,17,19,21,23,25,28-32,34H,8H2,1-2H3/t17-,19+,21-,23+,25+/m1/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](COC(=O)C)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100927067

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$