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Lotaustralin

MNXM12137 is deprecated and here replaced by MNXM727347
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727347 Image of MNXM727347
referencechebi:6542
formulaC11H19NO6
global charge0
mol weight261.274
InChIKeyWEWBWVMTOYUPHH-QHAQEBJBSA-N
InChIInChI=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
SMILESCC[C@](C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM727347
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:6542
chebi:6542
kegg.compound:C08334
keggC:C08334
WEWBWVMTOYUPHH-QHAQEBJBSA-N 		Lotaustralin

seed.compound:cpd05249
seedM:cpd05249
WEWBWVMTOYUPHH-QHAQEBJBSA-N 		Lotaustralin
2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside
lotaustralin

metacyc.compound:CPD-10277
metacycM:CPD-10277
WEWBWVMTOYUPHH-QHAQEBJBSA-N 		lotaustralin
2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside

keggC:M_C08334
seedM:M_cpd05249 		secondary/obsolete/fantasy identifier