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CHEBI:108141 - (2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester

ChEBI IDCHEBI:108141
ChEBI Name(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester
Stars
DownloadsMolfile
FormulaC22H26O5S
Net Charge0
Average Mass402.512
Monoisotopic Mass402.15009
SMILESC=CCOC(=O)C1=C[C@H](c2csc3ccccc23)[C@@H](CCCO)[C@H](OCC)O1
InChIInChI=1S/C22H26O5S/c1-3-12-26-21(24)19-13-17(16(9-7-11-23)22(27-19)25-4-2)18-14-28-20-10-6-5-8-15(18)20/h3,5-6,8,10,13-14,16-17,22-23H,1,4,7,9,11-12H2,2H3/t16-,17+,22-/m1/s1
InChIKeyZTJMBAUUSGXQHO-HYFFOGBASA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester (CHEBI:108141) is a 1-benzothiophenes (CHEBI:38836)
Manual XrefsDatabases
LSM-19518LINCS