LMPK12120046
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.4139    8.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4139    7.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2578    7.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1017    7.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1017    8.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2578    8.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    7.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3511    7.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6637    7.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8130    7.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6637    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8130    8.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    8.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1364    8.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1364    7.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    7.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9456    8.9811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    6.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    9.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1364   10.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1364   11.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2999   11.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9726   11.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    8.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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
  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
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120046

> <COMMON_NAME>
Bavachalcone

> <SYSTEMATIC_NAME>
1-[2-Hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one

> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZUGCRBMNFSAUOC-YRNVUSSQSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321765

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 429560

> <CITATION>
-

$$$$