CHEBI:193375 - {[4-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy}sulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name {[4-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy}sulfonic acid
ChEBI ID CHEBI:193375
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H16O6S
Net Charge 0
Average Mass 276.300
Monoisotopic Mass 276.06676
InChI InChI=1S/C11H16O6S/c1-8(17-18(13,14)15)3-4-9-5-6-10(12)11(7-9)16-2/h5-8,12H,3-4H2,1-2H3,(H,13,14,15)
InChIKey YFEJBBGQDRDFLT-UHFFFAOYSA-N
SMILES S(OC(CCC1=CC(OC)=C(O)C=C1)C)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing {[4-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy}sulfonic acid (CHEBI:193375) is a methoxybenzenes (CHEBI:51683)
{[4-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy}sulfonic acid (CHEBI:193375) is a phenols (CHEBI:33853)
IUPAC Name
4-(4-hydroxy-3-methoxyphenyl)butan-2-yl hydrogen sulate
Manual Xref Database
74853930 ChemSpider
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