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CHEBI:2882 - Asperuloside tetraacetate

ChEBI IDCHEBI:2882
ChEBI NameAsperuloside tetraacetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H30O15
Net Charge0
Average Mass582.511
Monoisotopic Mass582.15847
SMILES[H][C@@]12C3=CO[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@]1([H])C(COC(C)=O)=C[C@]2([H])OC3=O
InChIInChI=1S/C26H30O15/c1-10(27)33-7-15-6-17-20-16(24(32)39-17)8-35-25(19(15)20)41-26-23(38-14(5)31)22(37-13(4)30)21(36-12(3)29)18(40-26)9-34-11(2)28/h6,8,17-23,25-26H,7,9H2,1-5H3/t17-,18+,19+,20-,21+,22-,23+,25-,26-/m0/s1
InChIKeyPNJMLKLECQXAHQ-GGHIHTNXSA-N
ChEBI Ontology
Outgoing Relation(s)
Asperuloside tetraacetate (CHEBI:2882) is a glycoside (CHEBI:24400)
Synonym  Source
Asperuloside tetraacetateKEGG COMPOUND
Manual XrefsDatabases
C11655KEGG COMPOUND