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CHEBI:68964 - 4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside

ChEBI IDCHEBI:68964
ChEBI Name4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside
Stars
DefinitionA natural product found in Acer saccharum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H28O12
Net Charge0
Average Mass448.421
Monoisotopic Mass448.15808
SMILESCOc1cc(CO)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H28O12/c1-27-11-4-9(5-20)2-3-10(11)30-17-15(24)14(23)13(22)12(31-17)6-28-18-16(25)19(26,7-21)8-29-18/h2-4,12-18,20-26H,5-8H2,1H3/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
InChIKeyCROSCHPQOAEYSN-OTCFHACESA-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)
4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside (CHEBI:68964) has role metabolite (CHEBI:25212)
4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside (CHEBI:68964) is a glycoside (CHEBI:24400)
Citations