CHEBI:192049 - Mandelonitrile rutinoside

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ChEBI Name Mandelonitrile rutinoside
ChEBI ID CHEBI:192049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H27NO10
Net Charge 0
Average Mass 441.433
Monoisotopic Mass 441.16350
InChI InChI=1S/C20H27NO10/c1-9-13(22)15(24)17(26)19(29-9)28-8-12-14(23)16(25)18(27)20(31-12)30-11(7-21)10-5-3-2-4-6-10/h2-6,9,11-20,22-27H,8H2,1H3
InChIKey QSPJUYWAUZTHLP-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC(C2=CC=CC=C2)C#N)COC3OC(C(O)C(O)C3O)C
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing Mandelonitrile rutinoside (CHEBI:192049) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name
2-phenyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile
Manual Xref Database
HMDB0032803 HMDB
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