LMPK12110852
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   16.5345   10.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5345    9.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4468    8.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3593    9.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3593   10.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4468   10.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6219    8.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7094    9.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7969    8.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7969    7.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7094    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6219    7.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8845    9.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9719    8.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9719    7.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8845    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7094    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0595    9.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8845    6.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0387   10.8311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4468   11.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1422    8.9332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0248    9.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0454    7.3839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3048    6.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    7.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3259    9.3975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8304    8.7678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1919    8.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1848    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3117    7.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513    7.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4584    8.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5978    9.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5157   10.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  4 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 18  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>
LMPK12110852

> <COMMON_NAME>
Tricetin 3'-methyl ether 7-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>
VIYRBNJECSXYSN-SXFAUFNYSA-N

> <INCHI>
InChI=1S/C22H20O13/c1-32-14-3-7(2-11(25)16(14)26)12-6-10(24)15-9(23)4-8(5-13(15)34-12)33-22-19(29)17(27)18(28)20(35-22)21(30)31/h2-6,17-20,22-23,25-29H,1H3,(H,30,31)/t17-,18-,19+,20-,22+/m0/s1

> <SMILES>
C1C(O)=C(O)C(OC)=CC=1C1=CC(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258259

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$