LMPK12120191
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0     0  0            999 V2000
    7.4838    8.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838    7.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3823    7.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2810    7.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2810    8.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3823    9.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1796    7.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0782    7.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0782    8.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9767    9.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    8.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7739    9.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7739   10.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754   11.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9767   10.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1796    6.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6400   10.9922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3823    6.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.4645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3803   11.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1067   10.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0900    8.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4962    9.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2893    7.6384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5018   10.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3719   10.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2366   10.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2282    9.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3581    8.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3497    7.9821    0.0000 C   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
  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
 13 17  1  0  0  0  0
  3 18  1  0  0  0  0
  2 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 17  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMPK12120191

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4,2',3'-Trihydroxychalcone 4-O-glucoside

> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FCARTXFTNXJKAO-HPDMVBMPSA-N

> <INCHI>
InChI=1S/C21H22O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-12-7-4-11(5-8-12)6-9-14(23)13-2-1-3-15(24)17(13)25/h1-9,16,18-22,24-28H,10H2/b9-6+/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1C=CC(C(=O)/C=C/C2C=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2)=C(O)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607584

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$