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CHEBI:183642 - G(8-O-4)G(8-O-4)S(8-8)S

ChEBI IDCHEBI:183642
ChEBI NameG(8-O-4)G(8-O-4)S(8-8)S
Stars
Last Modified11 November 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H50O16
Net Charge0
Average Mass810.846
Monoisotopic Mass810.30989
SMILESCOc1cc(C(O)C(CO)Oc2ccc(C(O)C(CO)Oc3c(OC)cc(C4OCC5C(c6cc(OC)c(O)c(OC)c6)OCC45)cc3OC)cc2OC)ccc1O
InChIInChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(46)35(17-43)57-28-10-8-22(12-30(28)50-2)38(47)36(18-44)58-42-33(53-5)15-24(16-34(42)54-6)41-26-20-55-40(25(26)19-56-41)23-13-31(51-3)39(48)32(14-23)52-4/h7-16,25-26,35-38,40-41,43-48H,17-20H2,1-6H3
InChIKeySPABXJUCOPNAFD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
G(8-O-4)G(8-O-4)S(8-8)S (CHEBI:183642) is a lignan (CHEBI:25036)