14157896
  CDK     0910211425

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.3645   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 20  1  0  0  0  0 
  2  8  2  0  0  0  0 
  3 14  1  0  0  0  0 
  4 19  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  7 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  2  0  0  0  0 
 11 15  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 14  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  2  0  0  0  0 
 17 19  2  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:180158

> <NAME>
Loureirin C

> <STAR>
2

> <IUPAC_NAME>
3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one

> <FORMULA>
C16H16O4

> <MASS>
272.300

> <MONOISOTOPIC_MASS>
272.10486

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C16H16O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-4,6-8,10,17-18H,5,9H2,1H3

> <INCHIKEY>
LCKRZXFBCWYAKU-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120600

$$$$