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Linustatin

PropertiesImage
MNX_IDMNXM60199 Image of MNXM60199
referencechebi:6483
formulaC16H27NO11
global charge0
mol weight409.388
InChIKeyFERSMFQBWVBKQK-CXTTVELOSA-N
InChIInChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1
SMILESCC(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/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1 Image of MNXM60199
SMILES (mnx)[CH3:1][C:16]([CH3:2])([C:5]#[N:17])[O:28][C@H:15]1[C@H:13]([OH:24])[C@@H:11]([OH:22])[C@H:9]([OH:20])[C@@H:7]([CH2:4][O:25][C@H:14]2[C@H:12]([OH:23])[C@@H:10]([OH:21])[C@H:8]([OH:19])[C@@H:6]([CH2:3][OH:18])[O:26]2)[O:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:6483
chebi:6483
kegg.compound:C08333
keggC:C08333
FERSMFQBWVBKQK-CXTTVELOSA-N
Linustatin

seed.compound:cpd05248
seedM:cpd05248
FERSMFQBWVBKQK-CXTTVELOSA-N
Linustatin
[2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylpropiononitrile)]
linustatin
propane nitrile
propanenitrile

metacyc.compound:CPD-14594
metacycM:CPD-14594
FERSMFQBWVBKQK-CXTTVELOSA-N
linustatin
[2-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-2-methylpropiononitrile)]
propanenitrile

keggC:M_C08333
seedM:M_cpd05248
secondary/obsolete/fantasy identifier