
 CHEMBL184264

 58 59  0  0  0  0  0  0  0  0999 V2000
    1.4436    1.6861    3.2824 C   0  0  0  0  0
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    0.3712    2.1265    0.6693 H   0  0  0  0  0
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    8.8299   -5.4114   -1.5743 H   0  0  0  0  0
    7.0379   -5.9434   -3.2054 H   0  0  0  0  0
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    2.4363   -2.2836   -2.4770 H   0  0  0  0  0
    0.8381   -1.0572    2.8541 H   0  0  0  0  0
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  1  5  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
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  4  5  1  0  0  0
  4  6  1  0  0  0
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  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
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  8 18  1  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL184264

>  <PubChem CID>
44393438

>  <Formula>
C22H29ClO6

>  <Molecular Weight>
424.918000

>  <IUPAC Name>
(Z)-8-[(2R,3S,4R)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxyoxolan-3-yl]oct-6-enoic acid

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(C(C(O1)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H]([C@H](O1)/C=C/[C@@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h2,4,6-8,11-13,17,19-21,24-25H,1,3,5,9-10,14-15H2,(H,26,27)/b4-2-,12-11+/t17-,19-,20-,21+/m0/s1

>  <InChI Key>
WDOKPGCUULCOLP-LIUQAAIZSA-N

