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Neolinustatin

MNXM64385 is deprecated and here replaced by MNXM739136
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM739136

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₇H₂₉NO₁₁

charge

mass

423.17406

reference

chebi:7506

InChIKey

WOSYVGNDRYBQCQ-BARGLTKPSA-N

InChI

InChI=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

SMILES

CC[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7506 chebi:7506 kegg.compound:C08336 keggC:C08336	Neolinustatin
seed.compound:cpd05251 seedM:cpd05251	Neolinustatin [(2R)-2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylbutyronitrile)] butanenitrile neolinustatin
metacyc.compound:CPD-14596 metacycM:CPD-14596	neolinustatin [(2R)-2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylbutyronitrile)] butanenitrile
keggC:M_C08336 seedM:M_cpd05251	secondary/obsolete/fantasy identifier