LMPK12112175
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
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    8.9956   -4.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7152   -6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5751   -5.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5751   -4.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 26  1  0     0  0
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 31 32  1  0     0  0
 32 33  1  1     0  0
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 35 36  1  0     0  0
M  END
> <LM_ID>
LMPK12112175

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

> <SYSTEMATIC_NAME>
3,5,7,3',4'-Pentahydroxyflavone 3-(6"-ethylglucuronide)

> <FORMULA>
C23H22O13

> <MASS>
506.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ARHZOOUFQQMDOW-USFRMQJTSA-N

> <INCHI>
InChI=1S/C23H22O13/c1-2-33-22(32)21-17(30)16(29)18(31)23(36-21)35-20-15(28)14-12(27)6-9(24)7-13(14)34-19(20)8-3-4-10(25)11(26)5-8/h3-7,16-18,21,23-27,29-31H,2H2,1H3/t16-,17-,18+,21-,23+/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)OCC)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163078407

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 189799

> <CITATION>
-

$$$$