CHEBI:168920 - alpha-hydroxysalmeterol

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 alpha-hydroxysalmeterol
ChEBI ID CHEBI:168920
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H37NO5
Net Charge 0
Average Mass 431.573
Monoisotopic Mass 431.26717
InChI InChI=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
InChIKey PGRMEHUQIPZHKM-UHFFFAOYSA-N
SMILES O(CCCCCCNCC(O)C1=CC(=C(O)C=C1)CO)CCCC(O)C2=CC=CC=C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
171076 ChemSpider
HMDB0061045 HMDB
View more database links
Registry Number Type Source
152405-02-2 CAS Registry Number ChemIDplus