CHEBI:141404 - 3-(4-hydroxyphenyl)-3-oxopropyl β-D-glucopyranoside

ChEBI IDCHEBI:141404
ChEBI Name3-(4-hydroxyphenyl)-3-oxopropyl β-D-glucopyranoside
Stars
ASCII Name3-(4-hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside
Last Modified17 July 2018
Submittermwilliams
DownloadsMolfile
FormulaC15H20O8
Net Charge0
Average Mass328.317
Monoisotopic Mass328.11582
SMILESO=C(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1
InChIInChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2/t11-,12-,13+,14-,15-/m1/s1
InChIKeyNPAQHLFPEOMKAL-UXXRCYHCSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-hydroxyphenyl)-3-oxopropyl β-D-glucopyranoside (CHEBI:141404) is a β-D-glucoside (CHEBI:22798)
Synonym  Source
1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-oneSUBMITTER
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