LMPK12112278
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   17.1072    9.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1863   10.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1863   11.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1072   11.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0278   11.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0278   10.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2655    9.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3449   10.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4240    9.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4240    8.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3449    8.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2655    8.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5032   10.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5822    9.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5822    8.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5032    8.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3449    7.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6617   10.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0374    8.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5032    7.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7906   11.8094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1072   12.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0374    7.2440    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0374    6.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7545    7.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3082    7.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    8.3089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483    7.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0182    8.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9315   10.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7521    9.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6577    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7426    8.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9277    9.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0222   10.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
 35 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 31 18  1  1     0  0
 32 27  1  6     0  0
 33 28  1  1     0  0
 34 29  1  1     0  0
M  END
> <LM_ID>
LMPK12112278

> <COMMON_NAME>
Quercetin 3-sulfate-7-alpha-arabinopyranoside

> <SYSTEMATIC_NAME>
3-(Hydrogen sulfate)-7-(alpha-L-arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C20H18O14S

> <MASS>
514.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XPYREWKWNDJMCU-IEGSVRCHSA-N

> <INCHI>
InChI=1S/C20H18O14S/c21-9-2-1-7(3-10(9)22)18-19(34-35(28,29)30)16(26)14-11(23)4-8(5-13(14)33-18)32-20-17(27)15(25)12(24)6-31-20/h1-5,12,15,17,20-25,27H,6H2,(H,28,29,30)/t12-,15-,17+,20-/m0/s1

> <SMILES>
C1C=C(O)C(O)=CC=1C1=C(OS(=O)(=O)O)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178336191

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 34272

> <CITATION>
-

$$$$