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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:81756 - Benfuresate
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ChEBI Ontology
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ChEBI Name
Benfuresate
ChEBI ID
CHEBI:81756
Stars
This entity has been manually annotated by a third party.
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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
View more database links
Registry Number
Type
Source
68505-69-1
CAS Registry Number
KEGG COMPOUND