LMPK12120518
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
   25.6706   21.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5367   20.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4027   21.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4027   22.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5367   22.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6706   22.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2687   22.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8046   20.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9386   21.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0726   20.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2065   21.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0726   19.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2065   22.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3405   22.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4745   22.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4745   21.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3405   20.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0725   22.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3405   19.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6084   22.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6716   23.1533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2663   21.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7992   19.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1716   20.9712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9175   18.7237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9065   21.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9381   22.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2346   21.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5012   20.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4695   20.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7360   19.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  1  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
 11 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 11  2  0     0  0
 13 18  1  0     0  0
 17 19  1  0     0  0
 15 20  1  0     0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 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  0     0  0
 30 31  1  6     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
M  END
> <LM_ID>
LMPK12120518

> <COMMON_NAME>
Trilobatin

> <SYSTEMATIC_NAME>
1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone

> <FORMULA>
C21H24O10

> <MASS>
436.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Phloretin-4-O-glucoside

> <INCHI_KEY>
GSTCPEBQYSOEHV-QNDFHXLGSA-N

> <INCHI>
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1(CCC(=O)C2=C(O)C=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=C2O)=CC=C(O)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037505

> <CHEBI_ID>
145829

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6451798

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
106570

> <CITATION>
-

$$$$