EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176359 - {4-[(1E)-3-(4-hydroxy-2-methoxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:176359
ChEBI Name{4-[(1E)-3-(4-hydroxy-2-methoxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6S
Net Charge0
Average Mass336.365
Monoisotopic Mass336.06676
SMILESCOc1cc(O)ccc1C/C=C/c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C16H16O6S/c1-21-16-11-14(17)8-7-13(16)4-2-3-12-5-9-15(10-6-12)22-23(18,19)20/h2-3,5-11,17H,4H2,1H3,(H,18,19,20)/b3-2+
InChIKeyJLUZHPMTCUSKCL-NSCUHMNNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
{4-[(1E)-3-(4-hydroxy-2-methoxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:176359) is a phenols (CHEBI:33853)
IUPAC Name 
[4-[(E)-3-(4-hydroxy-2-methoxyphenyl)prop-1-enyl]phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0130353HMDB
74852839ChemSpider