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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	[(5-oxo-1,7-diphenylheptan-2-yl)oxy]sulfonic acid

ChEBI ID	CHEBI:180700

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H22O5S

Net Charge

Average Mass

362.440

Monoisotopic Mass

362.11879

InChI

InChI=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)

InChIKey

ZGQHJSXUOAALPI-UHFFFAOYSA-N

SMILES

S(OC(CCC(=O)CCC1=CC=CC=C1)CC2=CC=CC=C2)(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133).

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via diarylheptanoid )

ChEBI Ontology
Outgoing	[(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