LMPK12111408
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   12.4956    8.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4956    7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3597    7.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2238    7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2238    8.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3597    9.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0879    7.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9522    7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9522    8.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0879    9.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0879    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8158    9.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6965    8.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5771    9.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5771   10.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6965   10.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8158   10.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3597    6.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4576   10.8081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4576    8.7744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6123    9.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6965   11.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3597   10.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5978    7.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8246    6.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0712    7.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8461    9.3857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    8.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7283    8.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7211    7.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8316    7.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9551    7.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9623    8.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0857    9.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0019   10.4133    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>
5,7,8,3',4',5'-Hexahydroxyflavone 7-glucuronide

> <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; 107240

> <CITATION>
-

$$$$