LMPK12120338
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.8809    7.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8809    6.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5687    6.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2565    6.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2565    7.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5687    7.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9443    6.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321    6.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3199    6.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0077    6.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7013    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3949    6.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3949    7.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7013    7.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0077    7.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9443    5.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9443    7.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5687    8.6868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5687    5.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  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
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120338

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2',3'-Dihydroxy-4',6'-dimethoxychalcone

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IAYOHSHBLLHXFB-CMDGGOBGSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+

> <SMILES>
C1(OC)=C(O)C(O)=C(C(=O)/C=C/C2C=CC=CC=2)C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0132911

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14159747

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$