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CHEBI:232995 - alpha-CEHC sulfate

ChEBI IDCHEBI:232995
ChEBI Namealpha-CEHC sulfate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC16H22O7S
Net Charge0
Average Mass358.412
Monoisotopic Mass358.10862
SMILESCc1c(C)c2c(c(C)c1OS(=O)(=O)O)CCC(C)(CCC(=O)O)O2
InChIInChI=1S/C16H22O7S/c1-9-10(2)15-12(11(3)14(9)23-24(19,20)21)5-7-16(4,22-15)8-6-13(17)18/h5-8H2,1-4H3,(H,17,18)(H,19,20,21)
InChIKeyZQMMTPNJGWUHCB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-CEHC sulfate (CHEBI:232995) has functional parent α-CEHC (CHEBI:88427)
alpha-CEHC sulfate (CHEBI:232995) is a aryl sulfate (CHEBI:37919)