LMPK12110447
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   12.4527    8.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4527    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2958    7.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1392    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1392    8.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2958    9.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9826    7.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8258    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8258    8.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9826    9.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9826    6.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6687    9.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5283    8.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3878    9.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3878   10.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5283   10.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6687   10.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6097    9.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2958    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2470   10.6845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9913   10.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4211    7.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6010    6.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    7.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8837    9.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3428    8.9494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7023    8.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6080    7.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6951    7.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8821    7.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9764    8.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1633    9.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1683   10.5218    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  3  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 27 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 32 33  2  0     0  0
M  END
> <LM_ID>
LMPK12110447

> <COMMON_NAME>
Acacetin 7-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O11

> <MASS>
460.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZWVNKIJIVBIMSW-SXFAUFNYSA-N

> <INCHI>
InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)14-8-13(24)16-12(23)6-11(7-15(16)32-14)31-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/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(OC)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15344014

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$