LMPK12110149
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   12.4645    8.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4645    7.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3009    7.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1374    7.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1374    8.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3009    9.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9739    7.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8102    7.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8102    8.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9739    9.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9754    6.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6465    9.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4988    8.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3514    9.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3514   10.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4988   10.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6465   10.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3009    6.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6282    9.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    7.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8734    6.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1523    7.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8945    9.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3990    8.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7606    8.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7535    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8804    7.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0199    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0270    8.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1665    9.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0843   10.0773    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
  1 19  1  0  0  0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  1     0  0
 25 19  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
 30 31  2  0     0  0
M  END
> <LM_ID>
LMPK12110149

> <COMMON_NAME>
Chrysin 7-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O10

> <MASS>
430.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IDRSJGHHZXBATQ-ZFORQUDYSA-N

> <INCHI>
InChI=1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,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)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
181485

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14135335

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$