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4-Hydroxyphenylacetonitrile triacetylrhamnoside

PropertiesImage
MNX_IDMNXM117938 Image of MNXM117938
referencehmdb:HMDB0032809
formulaC20H23NO8
global charge0
mol weight405.403
InChIKeyCRZLVGUYFBECND-FXCHBBSNSA-N
InChIInChI=1S/C20H23NO8/c1-11-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(25-11)29-16-7-5-15(6-8-16)9-10-21/h5-8,11,17-20H,9H2,1-4H3/t11-,17-,18+,19+,20-/m0/s1
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](C)O[C@@H](OC2=CC=C(CC#N)C=C2)[C@@H]1OC(C)=O
MNX internals
InChI (mnx)InChI=1/C20H23NO8/c1-11-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(25-11)29-16-7-5-15(6-8-16)9-10-21/h5-8,11,17-20H,9H2,1-4H3/t11-,17-,18+,19+,20-/m0/s1 Image of MNXM117938
SMILES (mnx)[CH3:1][C@H:11]1[C@H:17]([O:26][C:12]([CH3:2])=[O:22])[C@@H:18]([O:27][C:13]([CH3:3])=[O:23])[C@@H:19]([O:28][C:14]([CH3:4])=[O:24])[C@H:20]([O:29][C:16]2=[CH:8][CH:6]=[C:15]([CH2:9][C:10]#[N:21])[CH:5]=[CH:7]2)[O:25]1
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
hmdb:HMDB0032809
CRZLVGUYFBECND-FXCHBBSNSA-N 		4-Hydroxyphenylacetonitrile triacetylrhamnoside
(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-[4-(cyanomethyl)phenoxy]-2-methyloxan-3-yl acetate
4-(2',3',4'-Tri-O-acetyl-alpha-L-rhamnopyranosyloxy)-phenylacetonitrile
4-(2',3',4'-tri-O-acetyl-alpha-L-rhamnopyranosyloxy)-phenylacetonitrile
4-[(2',3',4'-Tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]nitrile
4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]nitrile
4-[(2,3,4-Tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]benzonitrile

CHEBI:169146
chebi:169146
CRZLVGUYFBECND-UHFFFAOYSA-N 		4-Hydroxyphenylacetonitrile triacetylrhamnoside
[4,5-diacetyloxy-6-[4-(cyanomethyl)phenoxy]-2-methyloxan-3-yl] acetate

hmdb:HMDB32809 		secondary/obsolete/fantasy identifier