
 MLS000069589

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M  END

>  <Chemical Name>
MLS000069589

>  <PubChem CID>
70626089

>  <Formula>
C20H30O4

>  <Molecular Weight>
334.456000

>  <IUPAC Name>
(Z)-7-[(1R,2S)-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1

>  <InChI Key>
MYHXHCUNDDAEOZ-YCJQKBDTSA-N

