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CHEBI:139407 - 4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl β-D-glucopyranoside

ChEBI IDCHEBI:139407
ChEBI Name4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl β-D-glucopyranoside
Stars
ASCII Name4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl beta-D-glucopyranoside
Last Modified15 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC26H36O11
Net Charge0
Average Mass524.563
Monoisotopic Mass524.22576
SMILESCOc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O
InChIInChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)30)7-16(11-27)17(12-28)8-15-4-6-19(21(10-15)35-2)36-26-25(33)24(32)23(31)22(13-29)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3/t16-,17-,22+,23+,24-,25+,26+/m0/s1
InChIKeyPCWPSOCJBMEHGK-DNABOVRESA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl β-D-glucopyranoside (CHEBI:139407) is a glycoside (CHEBI:24400)
4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl β-D-glucopyranoside (CHEBI:139407) is a lignan (CHEBI:25036)
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