
 MLS003107056

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M  END

>  <Chemical Name>
MLS003107056

>  <PubChem CID>
160

>  <Formula>
C20H34O5

>  <Molecular Weight>
354.487000

>  <IUPAC Name>
7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O

>  <Isomeric SMILES>
CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O

>  <InChI Std. ID>
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)

>  <InChI Key>
PXGPLTODNUVGFL-UHFFFAOYSA-N

