Ketcher 06292013222D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:156000

> <NAME>
SCB1

> <STAR>
2

> <SYNONYM>
SCB1

> <FORMULA>
C13H24O4

> <MASS>
244.331

> <MONOISOTOPIC_MASS>
244.16746

> <CHARGE>
0

> <SMILES>
[C@]1([C@@](C(OC1)=O)([C@@H](CCCCC(C)C)O)[H])(CO)[H]

> <INCHI>
InChI=1S/C13H24O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-12,14-15H,3-8H2,1-2H3/t10-,11-,12-/m1/s1

> <INCHIKEY>
XRKZVXDFKCVICZ-IJLUTSLNSA-N

> <METACYC_ACCESSION>
CPD-19918

> <PUBMED_CITATION>
29510026

$$$$