Mrv0541 10091316252D          

 26 28  0  0  0  0            999 V2000
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   -0.9375   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2292   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -6.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1917   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -9.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7917   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6500   -9.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667   -6.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5042   -9.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -5.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7917  -10.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5042   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -6.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208  -10.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3833   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  3  1  0  0  0  0
 18  5  1  0  0  0  0
 19 22  2  0  0  0  0
 20  9  1  0  0  0  0
 21 16  2  0  0  0  0
 22 15  1  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
  3  4  2  0  0  0  0
 12 13  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
> <ID>
CHEBI:67536

> <NAME>
3-hydroxyterphenyllin

> <DEFINITION>
A para-terphenyl that is the 3-hydroxy derivative of  terphenyllin. It has been isolated from Aspergillus taichungensis.

> <STAR>
3

> <IUPAC_NAME>
3',6'-dimethoxy-1,1':4',1''-terphenyl-2',3,4,4''-tetrol

> <FORMULA>
C20H18O6

> <MASS>
354.35330

> <MONOISOTOPIC_MASS>
354.11034

> <CHARGE>
0

> <SMILES>
COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(O)c1

> <INCHI>
InChI=1S/C20H18O6/c1-25-17-10-14(11-3-6-13(21)7-4-11)20(26-2)19(24)18(17)12-5-8-15(22)16(23)9-12/h3-10,21-24H,1-2H3

> <INCHIKEY>
YLSPFNUVVOKJDF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
66163-76-6

> <REAXYS_REGISTRY_NUMBER>
2185381

> <CHEMIDPLUS>
66163-76-6

> <PUBMED_CITATION>
21486068

$$$$