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CHEBI:169655 - 6'-Apiosyllotaustralin

ChEBI IDCHEBI:169655
ChEBI Name6'-Apiosyllotaustralin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27NO10
Net Charge0
Average Mass393.389
Monoisotopic Mass393.16350
SMILESCCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C16H27NO10/c1-3-16(2,6-17)27-15-13(23)11(21)10(20)8(26-15)5-24-14-12(22)9(19)7(4-18)25-14/h7-15,18-23H,3-5H2,1-2H3
InChIKeyNUKMOAMTVXXKKG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6'-Apiosyllotaustralin (CHEBI:169655) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name 
2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylbutanenitrile
Manual XrefsDatabases
HMDB0034207HMDB