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CHEBI:139293 - G(8–O–4)SP(8–8)S

ChEBI IDCHEBI:139293
ChEBI NameG(8–O–4)SP(8–8)S
Stars
Last Modified12 December 2017
Submittermwilliams
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FormulaC39H44O15
Net Charge0
Average Mass752.766
Monoisotopic Mass752.26802
SMILESCOc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC(C(O)c4cc(OC)c(O)c(OC)c4)C3COC(=O)c3ccc(O)cc3)cc2OC)ccc1O
InChIInChI=1S/C39H44O15/c1-47-28-12-21(8-11-27(28)42)35(44)33(17-40)54-38-31(50-4)15-23(16-32(38)51-5)37-26(19-53-39(46)20-6-9-24(41)10-7-20)25(18-52-37)34(43)22-13-29(48-2)36(45)30(14-22)49-3/h6-16,25-26,33-35,37,40-45H,17-19H2,1-5H3
InChIKeySJFYPGOALYKRON-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
G(8–O–4)SP(8–8)S (CHEBI:139293) is a lignan (CHEBI:25036)