LMPK12120333
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0  0  0  0  0  0  0  0999 V2000
   15.6583    9.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6583    8.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5129    7.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3675    8.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3675    9.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5129    9.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7272    8.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5818    7.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729    7.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0112    8.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729    6.8627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0112    9.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1621    9.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3131    9.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3131    8.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1621    7.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1621    6.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4640    9.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4640    7.8693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5925    7.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5925    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218    7.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218    8.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    7.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    9.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7145    9.3366    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
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120333

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2',4'-Dihydroxy-6'-methoxy-3'-(2-methylbutyryloxy)chalcone

> <FORMULA>
C21H22O6

> <MASS>
370.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZYWRDXVAUPKYLO-ZHACJKMWSA-N

> <INCHI>
InChI=1S/C21H22O6/c1-4-13(2)21(25)27-20-16(23)12-17(26-3)18(19(20)24)15(22)11-10-14-8-6-5-7-9-14/h5-13,23-24H,4H2,1-3H3/b11-10+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184947

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15609906

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 430754

> <CITATION>
-

$$$$