LMPK12112173
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.6025    9.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6025    8.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4731    7.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3436    8.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3436    9.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4731    9.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2140    7.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0845    8.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0845    9.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2140    9.5506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2140    6.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9546    9.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417    9.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7289    9.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7289   10.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   11.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9546   10.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9714    7.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6158   11.0868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4731    6.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   12.1111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7912    8.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4227    7.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2321    5.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6929    5.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3182    3.8457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7860    6.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6958    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    6.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4174    5.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5076    5.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4122    4.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5437    3.7744    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
 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
M  END
> <LM_ID>
LMPK12112173

> <COMMON_NAME>
Miquelianin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O13

> <MASS>
478.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Quercetin 3-O-glucuronide

> <INCHI_KEY>
DUBCCGAQYVUYEU-ZUGPOPFOSA-N

> <INCHI>
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/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)O)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66395

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5274585

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$