14483495
  CDK     1203211124

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.7934   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 20  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2 21  1  0  0  0  0 
  3 13  2  0  0  0  0 
  4 18  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  6 12  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  7 13  1  0  0  0  0 
  8 11  2  0  0  0  0 
 10 11  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 22  2  0  0  0  0 
 19 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 23 25  2  0  0  0  0 
 24 26  2  0  0  0  0 
 25 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:186989

> <NAME>
Pongagallone A

> <STAR>
2

> <IUPAC_NAME>
(Z)-1-[2,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-3-hydroxy-3-phenylprop-2-en-1-one

> <FORMULA>
C22H24O4

> <MASS>
352.430

> <MONOISOTOPIC_MASS>
352.16746

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C22H24O4/c1-15(2)10-11-17-12-18(22(26-4)14-21(17)25-3)20(24)13-19(23)16-8-6-5-7-9-16/h5-10,12-14,23H,11H2,1-4H3/b19-13-

> <INCHIKEY>
HYEHSSXMOHMVLQ-UYRXBGFRSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120375

$$$$