{4-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:169711)

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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	{4-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid

ChEBI ID	CHEBI:169711

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H8O5S

Net Charge

Average Mass

228.220

Monoisotopic Mass

228.00924

InChI

InChI=1S/C9H8O5S/c10-7-1-2-8-3-5-9(6-4-8)14-15(11,12)13/h1-7H,(H,11,12,13)/b2-1+

InChIKey

HMTMVRYLYCEPCW-OWOJBTEDSA-N

SMILES

S(OC1=CC=C(C=C1)/C=C/C=O)(O)(=O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	{4-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:169711) is a aryl sulfate (CHEBI:37919)

IUPAC Name

[4-[(E)-3-oxoprop-1-enyl]phenyl] hydrogen sulate