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

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ChEBI Name 4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl β-D-glucopyranoside
ChEBI ID CHEBI:139407
ChEBI ASCII Name 4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl beta-D-glucopyranoside
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H36O11
Net Charge 0
Average Mass 524.558
Monoisotopic Mass 524.22576
InChI InChI=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
InChIKey PCWPSOCJBMEHGK-DNABOVRESA-N
SMILES C1(=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)OC)C[C@@H](CO)[C@H](CO)CC3=CC(=C(C=C3)O)OC
ChEBI Ontology
Outgoing 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)
Manual Xref Database
21615480 ChemSpider
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Last Modified
15 January 2018