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acalyphin

PropertiesImage
MNX_IDMNXM39972 Image of MNXM39972
referencechebi:2372
formulaC14H20N2O9
global charge0
mol weight360.319
InChIKeyQZRKNNXRNBTODR-JKTRLFLGSA-N
InChIInChI=1S/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13+,14-/m1/s1
SMILESCOC1=CC(=O)N(C)[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13+,14-/m1/s1 Image of MNXM39972
SMILES (mnx)[CH3:1][N:16]1[C:8](=[O:18])[CH:3]=[C:7]([O:23][CH3:2])[C@@:14]([C:5]#[N:15])([O:25][C@H:12]2[C@H:11]([OH:21])[C@@H:10]([OH:20])[C@H:9]([OH:19])[C@@H:6]([CH2:4][OH:17])[O:24]2)[C@@H:13]1[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:2372
chebi:2372
QZRKNNXRNBTODR-JKTRLFLGSA-N 		acalyphin
3-(beta-D-glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile
3-(beta-D-glucopyranosyloxy)-2-hydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile
Acalyphin

seed.compound:cpd05239
seedM:cpd05239
kegg.compound:C08324
keggC:C08324
QZRKNNXRNBTODR-JKTRLFLGSA-N 		Acalyphin

keggC:M_C08324
seedM:M_cpd05239 		secondary/obsolete/fantasy identifier