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CHEBI:82085 - Quinacetol sulfate

ChEBI IDCHEBI:82085
ChEBI NameQuinacetol sulfate
Stars
DownloadsMolfile
Formula2C11H9NO2.H2O4S
Net Charge0
Average Mass472.475
Monoisotopic Mass472.09404
SMILESCC(=O)c1ccc(O)c2ncccc12.CC(=O)c1ccc(O)c2ncccc12.O=S(=O)(O)O
InChIInChI=1S/2C11H9NO2.H2O4S/c2*1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;1-5(2,3)4/h2*2-6,14H,1H3;(H2,1,2,3,4)
InChIKeyCDEWHBGYSWJUFP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Quinacetol sulfate (CHEBI:82085) is a polymer (CHEBI:60027)
Synonym  Source
QuinacetolKEGG COMPOUND
Manual XrefsDatabases
C18944KEGG COMPOUND
Registry NumbersSources
CAS:57130-91-3KEGG COMPOUND