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CHEBI:169320 - Orciprenaline-3-O-sulfate

ChEBI IDCHEBI:169320
ChEBI NameOrciprenaline-3-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H17NO6S
Net Charge0
Average Mass291.325
Monoisotopic Mass291.07766
SMILESCC(C)NCC(O)c1cc(O)cc(OS(=O)(=O)O)c1
InChIInChI=1S/C11H17NO6S/c1-7(2)12-6-11(14)8-3-9(13)5-10(4-8)18-19(15,16)17/h3-5,7,11-14H,6H2,1-2H3,(H,15,16,17)
InChIKeyIJWHPUWEGCYHMQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Orciprenaline-3-O-sulfate (CHEBI:169320) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[3-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] hydrogen sulate
Manual XrefsDatabases
128701ChemSpider
HMDB0060609HMDB
Registry NumbersSources
CAS:88456-69-3ChemIDplus