LMPK12120517
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
   10.0394   10.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0394    9.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8879    8.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7365    9.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7365   10.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8879   10.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5225    8.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4337    9.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4337   10.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851   10.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2817   10.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1540    9.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0260   10.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0260   11.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1540   12.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2817   11.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5225    7.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1914   10.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8962   12.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8879    7.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8733    5.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0884    4.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3234    5.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1101    7.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5510    6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9982    7.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9909    6.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0956    5.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2132    6.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2205    7.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380    7.5874    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  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  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  1     0  0
 26 20  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  END
> <LM_ID>
LMPK12120517

> <COMMON_NAME>
Phlorizin

> <SYSTEMATIC_NAME>
4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-glucoside

> <FORMULA>
C21H24O10

> <MASS>
436.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Phloretin 2'-glucoside; Phloridzin

> <INCHI_KEY>
IOUVKUPGCMBWBT-QNDFHXLGSA-N

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

> <SMILES>
C1(O)C=C(O)C(C(=O)CCC2C=CC(O)=CC=2)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=1

> <KEGG_ID>
C01604

> <HMDB_ID>
-

> <CHEBI_ID>
8113

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6072

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$