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CHEBI:68963 - 3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside

Default Structure
ChEBI IDCHEBI:68963
ChEBI Name3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside
Stars
DefinitionA natural product found in Acer saccharum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H30O13
Net Charge0
Average Mass478.447
Monoisotopic Mass478.16864
SMILESCOc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
InChIInChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1
InChIKeyCKGKQISENBKOCA-FHXQZXMCSA-N
Species of MetaboliteComponentSourceComments
Acer saccharum (ncbitaxon:4024) bark (BTO:0001301) PubMed (22032697) The air-dried powder of the bark was extracted by maceration with methanol
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)
3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside (CHEBI:68963) has role metabolite (CHEBI:25212)
3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside (CHEBI:68963) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
HMDB0038714HMDB
Citations