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Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)

PropertiesImage
MNX_IDMNXM130468 Image of MNXM130468
referencechebi:168593
formulaC16H19NO8
global charge0
mol weight353.327
InChIKeyBQIOAYLGMWMRRP-MPXNVAGNSA-N
InChIInChI=1S/C16H19NO8/c1-22-14(20)12(9-18)25-16(13(19)15(21)23-2)24-11(8-17)10-6-4-3-5-7-10/h3-7,11-13,16,18-19H,9H2,1-2H3/t11-,12?,13?,16?/m1/s1
SMILESCOC(=O)C(CO)OC(O[C@H](C#N)C1=CC=CC=C1)C(O)C(=O)OC
MNX internals
InChI (mnx)InChI=1/C16H19NO8/c1-22-14(20)12(9-18)25-16(13(19)15(21)23-2)24-11(8-17)10-6-4-3-5-7-10/h3-7,11-13,16,18-19H,9H2,1-2H3/t11-,12?,13?,16?/m1/s1 Image of MNXM130468
SMILES (mnx)[CH3:1][O:22][C:14]([CH:12]([CH2:9][OH:18])[O:25][CH:16]([CH:13]([C:15](=[O:21])[O:23][CH3:2])[OH:19])[O:24][C@H:11]([C:8]#[N:17])[C:10]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)=[O:20]
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:168593
chebi:168593
BQIOAYLGMWMRRP-MPXNVAGNSA-N 		Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)
methyl 3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)oxypropanoate
hmdb:HMDB0035502
BQIOAYLGMWMRRP-MPXNVAGNSA-N 		Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)
Methyl 3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)oxy]propanoic acid
Sambucus nigra degraded cyanogenic glycosides
methyl 3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)oxy]propanoate

hmdb:HMDB35502 		secondary/obsolete/fantasy identifier