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CHEBI:4419 - Deoxyloganin tetraacetate

ChEBI IDCHEBI:4419
ChEBI NameDeoxyloganin tetraacetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H34O13
Net Charge0
Average Mass542.534
Monoisotopic Mass542.19994
SMILES[H][C@]12[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)OC=C(C(=O)OC)[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C25H34O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,11,16,18-22,24-25H,7-8,10H2,1-6H3/t11-,16+,18+,19+,20+,21-,22+,24-,25-/m0/s1
InChIKeyYAAQITKFMRGHMP-JKYGLUIKSA-N
ChEBI Ontology
Outgoing Relation(s)
Deoxyloganin tetraacetate (CHEBI:4419) is a terpene glycoside (CHEBI:61777)
Synonym  Source
Deoxyloganin tetraacetateKEGG COMPOUND
Manual XrefsDatabases
C11646KEGG COMPOUND