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CHEBI:233455 - alpha-CEHC taurine

ChEBI IDCHEBI:233455
ChEBI Namealpha-CEHC taurine
Stars
Submittermwilliams
DownloadsMolfile
FormulaC18H27NO6S
Net Charge0
Average Mass385.482
Monoisotopic Mass385.15591
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)NCCS(=O)(=O)O)O2
InChIInChI=1S/C18H27NO6S/c1-11-12(2)17-14(13(3)16(11)21)5-7-18(4,25-17)8-6-15(20)19-9-10-26(22,23)24/h21H,5-10H2,1-4H3,(H,19,20)(H,22,23,24)
InChIKeyNUOXYTRMTRCUAT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-CEHC taurine (CHEBI:233455) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
3-(6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoyltaurineSUBMITTER