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Neolinustatin

MNXM64385 is deprecated and here replaced by MNXM739136
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739136 Image of MNXM739136
referencechebi:7506
formulaC17H29NO11
global charge0
mol weight423.415
InChIKeyWOSYVGNDRYBQCQ-BARGLTKPSA-N
InChIInChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1
SMILESCC[C@](C)(C#N)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1 Image of MNXM739136
SMILES (mnx)[CH3:1][CH2:3][C@:17]([CH3:2])([C:6]#[N:18])[O:29][C@H:16]1[C@H:14]([OH:25])[C@@H:12]([OH:23])[C@H:10]([OH:21])[C@@H:8]([CH2:5][O:26][C@H:15]2[C@H:13]([OH:24])[C@@H:11]([OH:22])[C@H:9]([OH:20])[C@@H:7]([CH2:4][OH:19])[O:27]2)[O:28]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:7506
chebi:7506
kegg.compound:C08336
keggC:C08336
WOSYVGNDRYBQCQ-BARGLTKPSA-N 		Neolinustatin

seed.compound:cpd05251
seedM:cpd05251
WOSYVGNDRYBQCQ-BARGLTKPSA-N 		Neolinustatin
[(2R)-2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylbutyronitrile)]
butanenitrile
neolinustatin

metacyc.compound:CPD-14596
metacycM:CPD-14596
WOSYVGNDRYBQCQ-BARGLTKPSA-N 		neolinustatin
[(2R)-2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylbutyronitrile)]
butanenitrile

keggC:M_C08336
seedM:M_cpd05251 		secondary/obsolete/fantasy identifier