42607651
  CDK     0910211423

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.9509   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    3.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  8  2  0  0  0  0 
  4 15  1  0  0  0  0 
  5 11  2  0  0  0  0 
  6  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  9 13  2  0  0  0  0 
 10 14  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 16  2  0  0  0  0 
 12 17  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 15  2  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:178330

> <NAME>
2',4',beta-Trihydroxy-6'-methoxychalcone

> <STAR>
2

> <IUPAC_NAME>
1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylpropane-1,3-dione

> <FORMULA>
C16H14O5

> <MASS>
286.283

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
O(C=1C(C(=O)CC(=O)C2=CC=CC=C2)=C(O)C=C(O)C1)C

> <INCHI>
InChI=1S/C16H14O5/c1-21-15-8-11(17)7-13(19)16(15)14(20)9-12(18)10-5-3-2-4-6-10/h2-8,17,19H,9H2,1H3

> <INCHIKEY>
UNEJIRZYTHVVEM-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120399

$$$$