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CHEBI:180700 - [(5-oxo-1,7-diphenylheptan-2-yl)oxy]sulfonic acid

ChEBI IDCHEBI:180700
ChEBI Name[(5-oxo-1,7-diphenylheptan-2-yl)oxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O5S
Net Charge0
Average Mass362.447
Monoisotopic Mass362.11879
SMILESO=C(CCc1ccccc1)CCC(Cc1ccccc1)OS(=O)(=O)O
InChIInChI=1S/C19H22O5S/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(24-25(21,22)23)15-17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,21,22,23)
InChIKeyZGQHJSXUOAALPI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
[(5-oxo-1,7-diphenylheptan-2-yl)oxy]sulfonic acid (CHEBI:180700) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(5-oxo-1,7-diphenylheptan-2-yl) hydrogen sulate
Manual XrefsDatabases
HMDB0134656HMDB
74853650ChemSpider