Ethyl chrysanthemumate (CHEBI:228794)

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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	Ethyl chrysanthemumate

ChEBI ID	CHEBI:228794

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H20O2

Net Charge

Average Mass

196.290

Monoisotopic Mass

196.14633

InChI

InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3

InChIKey

VIMXTGUGWLAOFZ-UHFFFAOYSA-N

SMILES

O(C(=O)C1C(C1C=C(C)C)(C)C)CC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	Ethyl chrysanthemumate (CHEBI:228794) is a monoterpenoid (CHEBI:25409)

IUPAC Name

ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate