{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid (CHEBI:185312)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid

ChEBI ID	CHEBI:185312

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H14O9S

Net Charge

Average Mass

406.360

Monoisotopic Mass

406.03585

InChI

InChI=1S/C18H14O9S/c1-25-18-11(3-5-16-12(18)6-7-26-16)15(21)9-14(20)10-2-4-13(19)17(8-10)27-28(22,23)24/h2-8,19H,9H2,1H3,(H,22,23,24)

InChIKey

XLNZTNWNRBBGBI-UHFFFAOYSA-N

SMILES

S(OC=1C=C(C(=O)CC(=O)C2=C(OC)C3=C(OC=C3)C=C2)C=CC1O)(O)(=O)=O

Metabolite of Species	Details
Bos taurus (NCBI:txid9913)	Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study

ChEBI Ontology
Outgoing	{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid (CHEBI:185312) is a dihydrochalcones (CHEBI:71230)

IUPAC Name

[2-hydroxy-5-[3-(4-methoxy-1-benzouran-5-yl)-3-oxopropanoyl]phenyl] hydrogen sulate