LMPK12112074
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    7.5821   14.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5821   13.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280   12.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2740   13.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2740   14.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280   14.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1201   12.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9660   13.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9660   14.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1201   14.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1201   12.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8118   14.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6738   14.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   14.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   15.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6738   16.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8118   15.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280   12.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7431   16.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   14.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8993   12.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6738   17.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9202   12.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7654   10.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5897    9.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7337   11.1907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1495    8.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3219   12.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3325   11.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7548   10.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1671   10.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1565   10.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5687    9.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1877    9.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1975    9.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6002    9.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7193    7.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2998    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    7.6080    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>
3-[(3-O,6-O-Diacetyl-beta-D-galactopyranosyl)oxy]-3',4',5,7-tetrahydroxyflavone

> <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; 13707

> <CITATION>
-

$$$$