LMPK12112174
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5850    8.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5850    7.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4378    7.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    7.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    8.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4378    9.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1434    7.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9961    7.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9961    8.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1434    9.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1434    6.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8485    9.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7176    8.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5867    9.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5867   10.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7176   10.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8485   10.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8635    7.2889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4558   10.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4378    6.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7176   11.7737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7393    6.5910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0729    4.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5325    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2590    5.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9972    3.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0312    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9691    5.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    4.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3648    4.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4269    4.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6566    4.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6920    4.3079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3532    2.3386    0.0000 C   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
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  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 19  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
 33 34  2  0     0  0
 27 35  1  0     0  0
M  END
> <LM_ID>
LMPK12112174

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

> <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>
DAKHAONGVOPWRO-NTKSAMNMSA-N

> <INCHI>
InChI=1S/C22H20O13/c1-32-21(31)20-16(29)15(28)17(30)22(35-20)34-19-14(27)13-11(26)5-8(23)6-12(13)33-18(19)7-2-3-9(24)10(25)4-7/h2-6,15-17,20,22-26,28-30H,1H3/t15-,16-,17+,20-,22+/m0/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](C(=O)OC)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21722016

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$