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CHEBI:169033 - {[1-(4-methoxyphenyl)-4-methylpent-1-en-3-yl]oxy}sulfonic acid

ChEBI IDCHEBI:169033
ChEBI Name{[1-(4-methoxyphenyl)-4-methylpent-1-en-3-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O5S
Net Charge0
Average Mass286.349
Monoisotopic Mass286.08749
SMILESCOc1ccc(/C=C/C(OS(=O)(=O)O)C(C)C)cc1
InChIInChI=1S/C13H18O5S/c1-10(2)13(18-19(14,15)16)9-6-11-4-7-12(17-3)8-5-11/h4-10,13H,1-3H3,(H,14,15,16)/b9-6+
InChIKeyITNIJJSYENSLOG-RMKNXTFCSA-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-methylpent-1-en-3-yl]oxy}sulfonic acid (CHEBI:169033) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
[(E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-yl] hydrogen sulate
Manual XrefsDatabases
74853064ChemSpider