Mid024873: Ilamine N-oxide
Metabolite Information
Name
Ilamine N-oxide
IUPAC Name
[(8S)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
Molecular Formula
C16H27NO6
Molecular Weight
329.39
Exact Mass
329.1838376
SMILES
CC(C(C(=O)OCC1=CC[N+]2(C1CCC2)[O-])(C(C)(C)O)O)OC
InChIKey
HBLMREVMAXBIKQ-DYLCFMGLSA-N
InChI
InChI=1S/C16H27NO6/c1-11(22-4)16(20,15(2,3)19)14(18)23-10-12-7-9-17(21)8-5-6-13(12)17/h7,11,13,19-20H,5-6,8-10H2,1-4H3/t11-,13+,16+,17?/m1/s1
Other Databases Link
knapsack_C00026204
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Alkaloids and derivatives
Class:
NA
Subclass:
NA
Species containing this metabolite
| Eupatorium fortunei |
Metabolite Spectrum Accession Label