CHEBI:193456 - [(3-phenyloxiran-2-yl)methoxy]sulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [(3-phenyloxiran-2-yl)methoxy]sulfonic acid
ChEBI ID CHEBI:193456
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H10O5S
Net Charge 0
Average Mass 230.230
Monoisotopic Mass 230.02489
InChI InChI=1S/C9H10O5S/c10-15(11,12)13-6-8-9(14-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,10,11,12)
InChIKey YKWYCTHLHCTMKH-UHFFFAOYSA-N
SMILES S(OCC1OC1C2=CC=CC=C2)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing [(3-phenyloxiran-2-yl)methoxy]sulfonic acid (CHEBI:193456) is a benzenes (CHEBI:22712)
IUPAC Name
(3-phenyloxiran-2-yl)methyl hydrogen sulate
Manual Xref Database
74853791 ChemSpider
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