LMPK12120334
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0  0  0  0  0  0  0  0999 V2000
   12.9132    7.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9132    6.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6178    6.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3224    6.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3224    7.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6178    8.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3210    6.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0256    6.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6166    6.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9062    6.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6166    5.6731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9062    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2061    8.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5062    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5062    6.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2061    6.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2061    5.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8061    8.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8061    6.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875    6.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875    5.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3696    6.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532    6.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6059    8.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3105    7.7129    0.0000 C   0  0  0  0  0  0  0  0  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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120334

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2',4'-Dihydroxy-3'-isovaleryloxy-6'-methoxychalcone

> <FORMULA>
C21H22O6

> <MASS>
370.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WHHBBIITEOAERR-MDZDMXLPSA-N

> <INCHI>
InChI=1S/C21H22O6/c1-13(2)11-18(24)27-21-16(23)12-17(26-3)19(20(21)25)15(22)10-9-14-7-5-4-6-8-14/h4-10,12-13,23,25H,11H2,1-3H3/b10-9+

> <SMILES>
C1=CC=CC=C1/C=C/C(=O)C1C(O)=C(OC(CC(C)C)=O)C(O)=CC=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15609907

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$