LMPK12112362
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.6237   10.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6236    9.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    9.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4063    9.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4064   10.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151   11.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2978    9.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1892    9.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1892   10.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2978   11.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2978    8.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0802   11.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887   10.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8973   11.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8972   12.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887   12.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0802   12.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1695    9.2228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8181   12.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    8.4351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887   13.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8511   14.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9894   10.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6209    8.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4303    6.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8911    7.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5164    5.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9842    8.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8940    9.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7110    8.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6156    7.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7058    7.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6104    6.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7419    5.5795    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
 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 19  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>
LMPK12112362

> <COMMON_NAME>
Isorhamnetin 3-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>
VVZWHOMBDMMRSC-NTKSAMNMSA-N

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

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)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>
189739

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491630

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$