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CHEBI:169693 - 2-(2-hydroxy-3,4-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)acetonitrile

ChEBI IDCHEBI:169693
ChEBI Name2-(2-hydroxy-3,4-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)acetonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H25NO9
Net Charge0
Average Mass375.374
Monoisotopic Mass375.15293
SMILESCOC1CC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C#N)C(O)C1OC
InChIInChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3+
InChIKeyKURSRHBVYUACKS-XVNBXDOJSA-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)
2-(2-hydroxy-3,4-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)acetonitrile (CHEBI:169693) is a glycoside (CHEBI:24400)
IUPAC Name 
(2Z)-2-[2-hydroxy-3,4-dimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile
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