CHEBI:82085 - Quinacetol sulfate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Quinacetol sulfate ChEBI ID CHEBI:82085 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H20N2O8S Net Charge 0 Average Mass 472.46800 Monoisotopic Mass 472.09404 InChI InChI=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) InChIKey CDEWHBGYSWJUFP-UHFFFAOYSA-N SMILES C1=CC(=C2C(=C1O)N=CC=C2)C(=O)C.S(=O)(=O)(O)O.C3=CC(=C4C(=C3O)N=CC=C4)C(=O)C ChEBI Ontology Outgoing Quinacetol sulfate (CHEBI:82085) is a polymer (CHEBI:60027) Synonym Source Quinacetol KEGG COMPOUND Manual Xref Database C18944 KEGG COMPOUND View more database links Registry Number Type Source 57130-91-3 CAS Registry Number KEGG COMPOUND