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CHEBI:182934 - 3-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran]-5-yl]propyl beta-D-glucopyranoside

ChEBI IDCHEBI:182934
ChEBI Name3-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran]-5-yl]propyl beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O11
Net Charge0
Average Mass522.547
Monoisotopic Mass522.21011
SMILESCOc1cc(C2Oc3c(OC)cc(CCCO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3C2CO)ccc1O
InChIInChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(11-27)15-8-13(9-19(34-2)25(15)37-24)4-3-7-35-26-23(32)22(31)21(30)20(12-28)36-26/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16?,20-,21-,22+,23-,24?,26-/m1/s1
InChIKeyDVWKMCPPEMUHBE-RAGYRXETSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran]-5-yl]propyl beta-D-glucopyranoside (CHEBI:182934) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzouran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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