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CHEBI:168390 - {[1-(4-methoxyphenyl)pentan-3-yl]oxy}sulfonic acid

ChEBI IDCHEBI:168390
ChEBI Name{[1-(4-methoxyphenyl)pentan-3-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5S
Net Charge0
Average Mass274.338
Monoisotopic Mass274.08749
SMILESCCC(CCc1ccc(OC)cc1)OS(=O)(=O)O
InChIInChI=1S/C12H18O5S/c1-3-11(17-18(13,14)15)7-4-10-5-8-12(16-2)9-6-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyHWGPUDFWOJZNCR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
{[1-(4-methoxyphenyl)pentan-3-yl]oxy}sulfonic acid (CHEBI:168390) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
1-(4-methoxyphenyl)pentan-3-yl hydrogen sulate
Manual XrefsDatabases
HMDB0133010HMDB
74853086ChemSpider