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CHEBI:168141 - Methyl salicylate O-[rhamnosyl-(1->6)-glucoside]

ChEBI IDCHEBI:168141
ChEBI NameMethyl salicylate O-[rhamnosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O12
Net Charge0
Average Mass460.432
Monoisotopic Mass460.15808
SMILESCOC(=O)c1ccccc1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C20H28O12/c1-8-12(21)14(23)16(25)19(30-8)29-7-11-13(22)15(24)17(26)20(32-11)31-10-6-4-3-5-9(10)18(27)28-2/h3-6,8,11-17,19-26H,7H2,1-2H3
InChIKeyCTLIPTKQWTWERE-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)
Methyl salicylate O-[rhamnosyl-(1->6)-glucoside] (CHEBI:168141) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxybenzoate
Manual XrefsDatabases
HMDB0033138HMDB