
 CHEMBL2114230

 66 67  0  0  0  0  0  0  0  0999 V2000
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  1  5  1  0  0  0
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  3  4  1  0  0  0
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  5  6  1  0  0  0
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  6 37  1  0  0  0
  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2114230

>  <PubChem CID>
71450954

>  <Formula>
C25H36O5

>  <Molecular Weight>
416.558000

>  <IUPAC Name>
(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid

>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(C(C(C1O)C=CC(CCCCC2=CC=CC=C2)O)CC=CCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H](C([C@@H]1O)/C=C/[C@@H](CCCCC2=CC=CC=C2)O)C/C=C\CCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1

>  <InChI Key>
FHWDBURJDRCBLO-JHBMHJAISA-N

