LMPK12111408
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.2657    8.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2657    7.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139    7.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9621    7.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9621    8.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139    9.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8103    7.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6587    7.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6587    8.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8103    9.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8103    6.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5064    9.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3709    8.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2353    9.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2353   10.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3709   10.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5064   10.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0996   10.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0996    8.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3986    9.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3709   11.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139   10.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3844    7.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6438    6.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9227    7.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6649    9.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1694    8.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5309    8.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5238    7.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6507    7.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    7.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7974    8.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9369    9.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8547   10.2217    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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 21  1  1  0  0  0  0
 16 22  1  0  0  0  0
  6 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 21  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>
LMPK12111408

> <COMMON_NAME>
8-Hydroxytricetin 7-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O14

> <MASS>
494.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GEISOXGZDVPJOC-BHWDSYMASA-N

> <INCHI>
InChI=1S/C21H18O14/c22-6-3-10(5-1-8(24)13(26)9(25)2-5)33-18-12(6)7(23)4-11(14(18)27)34-21-17(30)15(28)16(29)19(35-21)20(31)32/h1-4,15-17,19,21,23-30H,(H,31,32)/t15-,16-,17+,19-,21+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=C(O)C2OC(C3C=C(O)C(O)=C(O)C=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14162690

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$