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CHEBI:168678 - {[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid

ChEBI IDCHEBI:168678
ChEBI Name{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O5S
Net Charge0
Average Mass320.366
Monoisotopic Mass320.07184
SMILESCOc1ccc(C(/C=C/c2ccccc2)OS(=O)(=O)O)cc1
InChIInChI=1S/C16H16O5S/c1-20-15-10-8-14(9-11-15)16(21-22(17,18)19)12-7-13-5-3-2-4-6-13/h2-12,16H,1H3,(H,17,18,19)/b12-7+
InChIKeyDMISHEXUOBSJSL-KPKJPENVSA-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)
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid (CHEBI:168678) is a aromatic compound (CHEBI:33655)
IUPAC Name 
[(E)-1-(4-methoxyphenyl)-3-phenylprop-2-enyl] hydrogen sulate
Manual XrefsDatabases
74853899ChemSpider
HMDB0135631HMDB