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CHEBI:139294 - G(8–O–4)S(8–O–4)S(8–8)S

ChEBI IDCHEBI:139294
ChEBI NameG(8–O–4)S(8–O–4)S(8–8)S
Stars
Last Modified12 December 2017
Submittermwilliams
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FormulaC43H52O17
Net Charge0
Average Mass840.872
Monoisotopic Mass840.32045
SMILESCOc1cc(C(O)C(CO)Oc2c(OC)cc(C(O)C(CO)Oc3c(OC)cc(C4OCC5C(c6cc(OC)c(O)c(OC)c6)OCC45)cc3OC)cc2OC)ccc1O
InChIInChI=1S/C43H52O17/c1-50-28-10-21(8-9-27(28)46)37(47)35(17-44)59-42-31(53-4)11-22(12-32(42)54-5)38(48)36(18-45)60-43-33(55-6)15-24(16-34(43)56-7)41-26-20-57-40(25(26)19-58-41)23-13-29(51-2)39(49)30(14-23)52-3/h8-16,25-26,35-38,40-41,44-49H,17-20H2,1-7H3
InChIKeyOJKSPAPMILKAPV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
G(8–O–4)S(8–O–4)S(8–8)S (CHEBI:139294) is a lignan (CHEBI:25036)