LMPK12110448
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   12.4400    8.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4400    7.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2888    7.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1377    7.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1377    8.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2888    9.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9866    7.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8354    7.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8354    8.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9866    9.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9866    6.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6840    9.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5491    8.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4145    9.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4145   10.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5491   10.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6840   10.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5914    9.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2888    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2793   10.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0210   10.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5772    7.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8366    6.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1155    7.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8577    9.0978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3622    8.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7237    8.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7166    7.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8435    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9831    7.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9902    8.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1297    9.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   10.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4231    8.8117    0.0000 C   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
 26 34  1  0     0  0
M  END
> <LM_ID>
LMPK12110448

> <COMMON_NAME>
Acacetin 7-(6''-methylglucuronide)

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H22O11

> <MASS>
474.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NCDRCVIENURMRZ-KHYDEXNFSA-N

> <INCHI>
InChI=1S/C23H22O11/c1-30-11-5-3-10(4-6-11)15-9-14(25)17-13(24)7-12(8-16(17)33-15)32-23-20(28)18(26)19(27)21(34-23)22(29)31-2/h3-9,18-21,23-24,26-28H,1-2H3/t18-,19-,20+,21-,23+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)OC)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>
14482777

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$