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CHEBI:4417 - Deoxyloganic acid tetraacetate

ChEBI IDCHEBI:4417
ChEBI NameDeoxyloganic acid tetraacetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H32O13
Net Charge0
Average Mass528.507
Monoisotopic Mass528.18429
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)O)[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C24H32O13/c1-10-6-7-15-16(22(29)30)8-32-23(18(10)15)37-24-21(35-14(5)28)20(34-13(4)27)19(33-12(3)26)17(36-24)9-31-11(2)25/h8,10,15,17-21,23-24H,6-7,9H2,1-5H3,(H,29,30)/t10-,15+,17+,18+,19+,20-,21+,23-,24-/m0/s1
InChIKeyHFOBQUGXWUWGIR-PBVDINMUSA-N
ChEBI Ontology
Outgoing Relation(s)
Deoxyloganic acid tetraacetate (CHEBI:4417) is a terpene glycoside (CHEBI:61777)
Synonym  Source
Deoxyloganic acid tetraacetateKEGG COMPOUND
Manual XrefsDatabases
C11647KEGG COMPOUND