LMPK12112704
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.2296    8.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2296    7.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1002    7.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9712    7.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9712    8.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1002    9.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8419    7.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7127    7.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7127    8.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8419    9.3339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8419    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5832    9.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4707    8.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3581    9.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3581   10.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4707   10.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5832   10.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3592    9.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1002    6.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2819   10.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4707   11.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6104    7.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3828    7.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3450    7.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6044    6.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833    7.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6255    9.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1300    8.7163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4915    8.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844    7.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6113    7.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7509    7.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7580    8.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8975    9.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153   10.3547    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
 16 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  0     0  0
 33 34  1  1     0  0
 29 18  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 34 35  2  0     0  0
M  END
> <LM_ID>
LMPK12112704

> <COMMON_NAME>
Quercetin 3-methyl ether 7-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O13

> <MASS>
492.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JIDFZGSERZHTFO-NTKSAMNMSA-N

> <INCHI>
InChI=1S/C22H20O13/c1-32-19-14(26)13-11(25)5-8(33-22-17(29)15(27)16(28)20(35-22)21(30)31)6-12(13)34-18(19)7-2-3-9(23)10(24)4-7/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259662

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$