4-hydroxybenzyl isothiocyanate rhamnoside (CHEBI:230714)

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	4-hydroxybenzyl isothiocyanate rhamnoside

ChEBI ID	CHEBI:230714

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H17NO5S

Net Charge

Average Mass

311.350

Monoisotopic Mass

311.08274

InChI

InChI=1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3

InChIKey

QAZIHHJTZPNRCM-UHFFFAOYSA-N

SMILES

S=C=NCC1=CC=C(OC2OC(C(O)C(O)C2O)C)C=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-hydroxybenzyl isothiocyanate rhamnoside (CHEBI:230714) is a organic molecular entity (CHEBI:50860)

IUPAC Name

2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol