CHEBI:142274 - (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate

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ChEBI Name (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate ChEBI ID CHEBI:142274 ChEBI ASCII Name (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate Definition A carboxylic ester resulting from the formal condensation of phenylacetic acid with (3S)-3,7-dimethyloct-7-en-1-ol. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H26O2 Net Charge 0 Average Mass 274.399 Monoisotopic Mass 274.19328 InChI InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3/t16-/m0/s1 InChIKey SKZDJVXLRPCFQC-INIZCTEOSA-N SMILES C1=CC(=CC=C1)CC(OCC[C@H](CCCC(=C)C)C)=O Roles Classification Biological Role(s): flavouring agent A food additive that is used to added improve the taste or odour of a food. Application(s): flavouring agent A food additive that is used to added improve the taste or odour of a food. View more via ChEBI Ontology ChEBI Ontology Outgoing (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) has functional parent phenylacetic acid (CHEBI:30745) (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) has role flavouring agent (CHEBI:35617) (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) is a carboxylic ester (CHEBI:33308) (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) is a olefinic compound (CHEBI:78840) IUPAC Name (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate Synonyms Sources (3S)-3,7-dimethyloct-7-enyl-2-phenylacetate ChEBI (S)-3,7-dimethyl-7-octenyl benzeneacetate HMDB (S)-3,7-dimethyloct-7-enyl phenylacetate HMDB [(3S)-3,7-dimethyloct-7-enyl] 2-phenylacetate ChEBI rhodinyl phenylacetate ChEBI Manual Xrefs Databases FDB016193 FooDB HMDB0037191 HMDB View more database links Registry Numbers Types Sources 10486-14-3 CAS Registry Number ChemIDplus 23623724 Reaxys Registry Number Reaxys Citation Type Source 15950814 PubMed citation Europe PMC Last Modified 28 September 2018