[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate (CHEBI:182265)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate

ChEBI ID	CHEBI:182265

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22O3

Net Charge

Average Mass

274.360

Monoisotopic Mass

274.15689

InChI

InChI=1S/C17H22O3/c1-12(2)14-9-10-17(3,19)15(11-14)20-16(18)13-7-5-4-6-8-13/h4-8,14-15,19H,1,9-11H2,2-3H3/t14-,15+,17+/m1/s1

InChIKey

KGTUUJMNKKRNKR-VYDXJSESSA-N

SMILES

O([C@@H]1[C@@](O)(CC[C@H](C1)C(C)=C)C)C(=O)C2=CC=CC=C2

ChEBI Ontology
Outgoing	[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate (CHEBI:182265) is a monoterpenoid (CHEBI:25409)

IUPAC Name

[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate