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CHEBI:188549 - Ethyl 2-(allylsulfanyl)-2-(2-methylphenyl)-4-pentenoate

ChEBI IDCHEBI:188549
ChEBI NameEthyl 2-(allylsulfanyl)-2-(2-methylphenyl)-4-pentenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O2S
Net Charge0
Average Mass290.428
Monoisotopic Mass290.13405
SMILESC=CCSC(CC=C)(C(=O)OCC)c1ccccc1C
InChIInChI=1S/C17H22O2S/c1-5-12-17(20-13-6-2,16(18)19-7-3)15-11-9-8-10-14(15)4/h5-6,8-11H,1-2,7,12-13H2,3-4H3
InChIKeyRYYGJJBMRXSYDW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Ethyl 2-(allylsulfanyl)-2-(2-methylphenyl)-4-pentenoate (CHEBI:188549) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl 2-(2-methylphenyl)-2-prop-2-enylsulanylpent-4-enoate
Manual XrefsDatabases
65327573ChemSpider