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CHEBI:169149 - Todatriol glucoside

ChEBI IDCHEBI:169149
ChEBI NameTodatriol glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O10
Net Charge0
Average Mass390.385
Monoisotopic Mass390.15260
SMILESCOc1cc(CC(O)COC2OC(CO)C(O)C(O)C2O)cc(O)c1OC
InChIInChI=1S/C17H26O10/c1-24-11-5-8(4-10(20)16(11)25-2)3-9(19)7-26-17-15(23)14(22)13(21)12(6-18)27-17/h4-5,9,12-15,17-23H,3,6-7H2,1-2H3
InChIKeyOFPQILBGSKDVRR-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)
Todatriol glucoside (CHEBI:169149) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-[2-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0037260HMDB