LMPK12120525
  LIPID_MAPS_STRUCTURE_DATABASE

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.7215    7.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    6.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4434    5.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1654    6.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1654    7.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4434    7.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869    5.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    6.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3254    5.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0422    6.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7438    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4454    6.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4454    7.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7438    7.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0422    7.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869    5.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1467    7.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4434    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869    7.5001    0.0000 O   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
  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
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120525

> <COMMON_NAME>
Phloretin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H14O5

> <MASS>
274.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VGEREEWJJVICBM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2

> <SMILES>
C1(O)C=C(O)C(C(=O)CCC2C=CC(O)=CC=2)=C(O)C=1

> <KEGG_ID>
C00774

> <HMDB_ID>
HMDB0003306

> <CHEBI_ID>
17276

> <ABBREVIATION>
-

> <CAYMAN_ID>
14452

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4788

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$