CHEBI:139406 - 4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl hexopyranoside

ChEBI IDCHEBI:139406
ChEBI Name4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl hexopyranoside
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Last Modified15 January 2018
Submittermwilliams
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FormulaC26H36O11
Net Charge0
Average Mass524.563
Monoisotopic Mass524.22576
SMILESCOc1cc(CC(CO)C(COC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3
InChIKeyDRLPXFRWJUZTMG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl hexopyranoside (CHEBI:139406) is a glycoside (CHEBI:24400)
4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl hexopyranoside (CHEBI:139406) is a lignan (CHEBI:25036)
Manual XrefsDatabases
22370029ChemSpider
HMDB0037083HMDB