CHEBI:94729 - 5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one

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ChEBI Name 5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
ChEBI ID CHEBI:94729
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H25NO3
Net Charge 0
Average Mass 291.386
Monoisotopic Mass 291.18344
InChI InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m1/s1
InChIKey IXHBTMCLRNMKHZ-GFCCVEGCSA-N
SMILES CC(C)(C)NC[C@H](COC1=CC=CC2=C1CCCC2=O)O
ChEBI Ontology
Outgoing 5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one (CHEBI:94729) is a tetralins (CHEBI:36786)
Manual Xref Database
LSM-5810 LINCS
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