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CHEBI:86637 - G(8-O-4)S(8-8)S(8-O-4)G

ChEBI IDCHEBI:86637
ChEBI NameG(8-O-4)S(8-8)S(8-O-4)G
Stars
Last Modified12 December 2017
DownloadsMolfile
FormulaC42H50O16
Net Charge0
Average Mass810.846
Monoisotopic Mass810.30989
SMILESCOc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(OC(CO)C(O)c6ccc(O)c(OC)c6)c(OC)c5)OCC34)cc2OC)ccc1O
InChIInChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3
InChIKeyLSWNERGQFCAXLI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
G(8-O-4)S(8-8)S(8-O-4)G (CHEBI:86637) is a lignan (CHEBI:25036)
Synonym  Source
G b S r S b GChEBI
Manual XrefsDatabases
10254234ChemSpider