LMPK12120458
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.7007    7.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7007    6.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4034    6.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061    6.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061    7.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4034    7.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8068    6.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5077    6.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084    6.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9092    6.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    6.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2749    6.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2749    7.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    7.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9092    7.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8068    5.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9757    7.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4034    5.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9757    6.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9757    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  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
 12 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120458

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4,2',4'-Trihydroxy-3-methoxydihydrochalcone

> <FORMULA>
C16H16O5

> <MASS>
288.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NKLQEBAADGTJCF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H16O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h3-5,7-9,17,19-20H,2,6H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197220

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21722167

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$