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CHEBI:169164 - {[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}sulfonic acid

ChEBI IDCHEBI:169164
ChEBI Name{[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O5S
Net Charge0
Average Mass288.365
Monoisotopic Mass288.10314
SMILESCOc1ccc(CCC(OS(=O)(=O)O)C(C)C)cc1
InChIInChI=1S/C13H20O5S/c1-10(2)13(18-19(14,15)16)9-6-11-4-7-12(17-3)8-5-11/h4-5,7-8,10,13H,6,9H2,1-3H3,(H,14,15,16)
InChIKeyKFGPBSWXKZSQLU-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)-4-methylpentan-3-yl]oxy}sulfonic acid (CHEBI:169164) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
[1-(4-methoxyphenyl)-4-methylpentan-3-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0132970HMDB
74853069ChemSpider