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Lotaustralin

Properties

Image

Occurences in reactions

MNX_ID

MNXM727347

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₁₁H₁₉NO₆

charge

mass

261.274

reference

InChIKey

WEWBWVMTOYUPHH-QHAQEBJBSA-N

InChI

InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11-/m1/s1

SMILES

[CH3:1][CH2:3][C@:11]([CH3:2])([C:5]#[N:12])[O:18][C@H:10]1[C@H:9]([OH:16])[C@@H:8]([OH:15])[C@H:7]([OH:14])[C@@H:6]([CH2:4][OH:13])[O:17]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:6542 chebi:6542 kegg.compound:C08334 keggC:C08334	Lotaustralin
hmdb:HMDB0033865	Lotaustralin 2(R)-Hydroxy-2-methylbutyronitrile-beta-D- glucopyranoside 2(R)-Hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside 2-(beta-D-Glucopyranosyloxy)-2-methyl-(R)-butanenitrile 2-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile Lotaustralin, (S)-isomer
seed.compound:cpd05249 seedM:cpd05249	Lotaustralin 2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside lotaustralin
metacyc.compound:CPD-10277 metacycM:CPD-10277	lotaustralin 2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside
hmdb:HMDB33865 keggC:M_C08334 seedM:M_cpd05249	secondary/obsolete/fantasy identifier