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CHEBI:168920 - alpha-hydroxysalmeterol

ChEBI IDCHEBI:168920
ChEBI Namealpha-hydroxysalmeterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO5
Net Charge0
Average Mass431.573
Monoisotopic Mass431.26717
SMILESOCc1cc(C(O)CNCCCCCCOCCCC(O)c2ccccc2)ccc1O
InChIInChI=1S/C25H37NO5/c27-19-22-17-21(12-13-24(22)29)25(30)18-26-14-6-1-2-7-15-31-16-8-11-23(28)20-9-4-3-5-10-20/h3-5,9-10,12-13,17,23,25-30H,1-2,6-8,11,14-16,18-19H2
InChIKeyPGRMEHUQIPZHKM-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)
alpha-hydroxysalmeterol (CHEBI:168920) is a benzyl alcohols (CHEBI:22743)
IUPAC Name 
4-[1-hydroxy-2-[6-(4-hydroxy-4-phenylbutoxy)hexylamino]ethyl]-2-(hydroxymethyl)phenol
Manual XrefsDatabases
171076ChemSpider
HMDB0061045HMDB
Registry NumbersSources
CAS:152405-02-2ChemIDplus