CHEBI:171794 - Coniferan

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ChEBI Name Coniferan
ChEBI ID CHEBI:171794
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H24O2
Net Charge 0
Average Mass 212.333
Monoisotopic Mass 212.17763
InChI InChI=1S/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3
InChIKey YEVACTAGDANHRH-UHFFFAOYSA-N
SMILES O(C1C(C(CC)(C)C)CCCC1)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Coniferan (CHEBI:171794) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[2-(2-methylbutan-2-yl)cyclohexyl] acetate
Manual Xrefs Databases
56046 ChemSpider
HMDB0031741 HMDB
View more database links
Registry Number Type Source
67874-72-0 CAS Registry Number ChemIDplus