102176225
  CDK     0629212310

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.0789    1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    4.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -4.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    3.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    4.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    3.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -3.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  2 10  2  0  0  0  0 
  3 16  1  0  0  0  0 
  4 23  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  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  2  0  0  0  0 
 13 17  2  0  0  0  0 
 14 16  2  0  0  0  0 
 15 16  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 20 22  2  0  0  0  0 
 21 23  2  0  0  0  0 
 22 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:176670

> <NAME>
1,7-Bis(4-hydroxyphenyl)-5-hydroxy-1-heptene-3-one

> <STAR>
2

> <IUPAC_NAME>
(E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one

> <FORMULA>
C19H20O4

> <MASS>
312.365

> <MONOISOTOPIC_MASS>
312.13616

> <CHARGE>
0

> <SMILES>
OC(CCC1=CC=C(O)C=C1)CC(=O)/C=C/C2=CC=C(O)C=C2

> <INCHI>
InChI=1S/C19H20O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,19-21,23H,6,12-13H2/b11-5+

> <INCHIKEY>
CWFOAVBXINFPCW-VZUCSPMQSA-N

$$$$