Ketcher 06041816172D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:140934

> <NAME>
5S-HEPE

> <STAR>
2

> <FORMULA>
C20H30O3

> <MASS>
318.451

> <MONOISOTOPIC_MASS>
318.21949

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1

> <INCHIKEY>
FTAGQROYQYQRHF-GHWNLOBHSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03070010

$$$$