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CHEBI:180699 - (4-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]carbonyl}phenyl)oxidanesulfonic acid

Default Structure
ChEBI IDCHEBI:180699
ChEBI Name(4-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]carbonyl}phenyl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O7S
Net Charge0
Average Mass364.375
Monoisotopic Mass364.06167
SMILESC=CCc1ccc(OC(=O)c2ccc(OS(=O)(=O)O)cc2)c(OC)c1
InChIInChI=1S/C17H16O7S/c1-3-4-12-5-10-15(16(11-12)22-2)23-17(18)13-6-8-14(9-7-13)24-25(19,20)21/h3,5-11H,1,4H2,2H3,(H,19,20,21)
InChIKeyIRVFZWAGLKRYHZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
(4-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]carbonyl}phenyl)oxidanesulfonic acid (CHEBI:180699) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2-methoxy-4-prop-2-enylphenyl) 4-sulooxybenzoate
Manual XrefsDatabases
74853776ChemSpider
HMDB0135252HMDB