(Q27287674)

374629-79-5 (English)

14 October 2016

chemical formula

C₁₄H₂₆O₃

1 reference

374629-79-5 (English)

14 October 2016

canonical SMILES

CC1CCC(C(C1)OC(=O)CC(C)O)C(C)C

1 reference

374629-79-5 (English)

14 October 2016

isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(C)O)C(C)C

1 reference

374629-79-5 (English)

InChI=1S/C14H26O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

374629-79-5 (English)

XSJPRWBZLUYOOI-IBSWDFHHSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

374629-79-5 (English)

14 October 2016

1 reference

UNII

R1RL1R4516

(-)-menthyl 3-hydroxybutyrate (English)

14 October 2016

1 reference

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 3-hydroxybutanoate (English)

14 October 2016

1 reference

374629-79-5 (English)

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

14 October 2016

ChEBI ID

174254

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

1 reference

1 reference

DSSTOX compound identifier

DTXCID90113390

0 references

Human Metabolome Database ID

HMDB0032370

1 reference

based on heuristic

inferred from InChIKey

UNII

R1RL1R4516

1 reference

stated in

Global Substance Registration System

UNII

R1RL1R4516

(-)-menthyl 3-hydroxybutyrate (English)