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CHEBI:169146 - 4-Hydroxyphenylacetonitrile triacetylrhamnoside

Default Structure
ChEBI IDCHEBI:169146
ChEBI Name4-Hydroxyphenylacetonitrile triacetylrhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO8
Net Charge0
Average Mass405.403
Monoisotopic Mass405.14237
SMILESCC(=O)OC1C(C)OC(Oc2ccc(CC#N)cc2)C(OC(C)=O)C1OC(C)=O
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
InChIKeyCRZLVGUYFBECND-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxyphenylacetonitrile triacetylrhamnoside (CHEBI:169146) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5-diacetyloxy-6-[4-(cyanomethyl)phenoxy]-2-methyloxan-3-yl] acetate
Manual XrefsDatabases
HMDB0032809HMDB