Mrv0541 03261512092D          

 22 23  0  0  0  0            999 V2000
    6.5723    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5711    0.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863    0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0030    0.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0001    1.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2845    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    0.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    1.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4269    1.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1405    1.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8579    1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5715    1.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2888    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5676    2.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0024    1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7156    1.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7143    0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4307    0.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1456    0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1424    1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4254    1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8636    0.0795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 11 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
 12 14  2  0  0  0  0
  2  7  1  0  0  0  0
 13 15  2  0  0  0  0
  3  4  2  0  0  0  0
 15 16  1  0  0  0  0
  5  8  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  8  9  2  0  0  0  0
 18 19  2  0  0  0  0
  4  5  1  0  0  0  0
 19 20  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
  2  3  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <ID>
CHEBI:65502

> <NAME>
1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one

> <DEFINITION>
A  diarylheptanoid that is 1,4,6-heptatrien-3-one substituted by 4-hydroxypheny group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma domestica and Etlingera elatior.

> <STAR>
3

> <IUPAC_NAME>
(1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

> <FORMULA>
C19H16O3

> <MASS>
292.32850

> <MONOISOTOPIC_MASS>
292.10994

> <CHARGE>
0

> <SMILES>
Oc1ccc(\C=C\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1

> <INCHI>
InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7+

> <INCHIKEY>
PALMCMYYFAHUGA-BPTNNVFMSA-N

> <REAXYS_REGISTRY_NUMBER>
6144614

> <PUBMED_CITATION>
15730265

$$$$