CHEBI:81756 - Benfuresate

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ChEBI Name Benfuresate
ChEBI ID CHEBI:81756
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H16O4S
Net Charge 0
Average Mass 256.31800
Monoisotopic Mass 256.07693
InChI InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
InChIKey QGQSRQPXXMTJCM-UHFFFAOYSA-N
SMILES CCS(=O)(=O)Oc1ccc2OCC(C)(C)c2c1
ChEBI Ontology
Outgoing Benfuresate (CHEBI:81756) is a benzofurans (CHEBI:35259)
Manual Xrefs Databases
64 PPDB
C18452 KEGG COMPOUND
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Registry Number Type Source
68505-69-1 CAS Registry Number KEGG COMPOUND