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CHEBI:230714 - 4-hydroxybenzyl isothiocyanate rhamnoside

ChEBI IDCHEBI:230714
ChEBI Name4-hydroxybenzyl isothiocyanate rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17NO5S
Net Charge0
Average Mass311.359
Monoisotopic Mass311.08274
SMILESCC1OC(Oc2ccc(CN=C=S)cc2)C(O)C(O)C1O
InChIInChI=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
InChIKeyQAZIHHJTZPNRCM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
HMDB0032801HMDB
11590012ChemSpider