LMPK12120543
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.5827    7.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827    6.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2986    5.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    6.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    7.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2986    7.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2986    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7299    5.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434    6.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    5.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8704    6.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    5.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2976    6.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2976    7.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8704    7.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7299    5.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7299    7.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2986    8.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0111    7.4742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2133    8.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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
  8 17  2  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120543

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone

> <FORMULA>
C17H18O5

> <MASS>
302.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SRVYQQAVHYJVJI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O5/c1-10-15(22-2)9-14(20)16(17(10)21)13(19)8-5-11-3-6-12(18)7-4-11/h3-4,6-7,9,18,20-21H,5,8H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197115

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607706

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$