CHEBI:132793 - albiflorin

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ChEBI Name albiflorin
ChEBI ID CHEBI:132793
Definition A monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information eMolecules:30490842, ZINC000038143679
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Formula C23H28O11
Net Charge 0
Average Mass 480.463
Monoisotopic Mass 480.16316
InChI InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
InChIKey QQUHMASGPODSIW-ICECTASOSA-N
SMILES O1[C@@]2([C@]3(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@@]([C@@](C3)([C@H](O)C2)[H])(C1=O)COC(=O)C5=CC=CC=C5)C
Metabolite of Species Details
Paeonia lactiflora (NCBI:txid35924) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing albiflorin (CHEBI:132793) has role neuroprotective agent (CHEBI:63726)
albiflorin (CHEBI:132793) has role plant metabolite (CHEBI:76924)
albiflorin (CHEBI:132793) is a β-D-glucoside (CHEBI:22798)
albiflorin (CHEBI:132793) is a γ-lactone (CHEBI:37581)
albiflorin (CHEBI:132793) is a benzoate ester (CHEBI:36054)
albiflorin (CHEBI:132793) is a bridged compound (CHEBI:35990)
albiflorin (CHEBI:132793) is a monoterpene glycoside (CHEBI:72293)
albiflorin (CHEBI:132793) is a secondary alcohol (CHEBI:35681)
Incoming 6'-O-galloylalbiflorin (CHEBI:132816) has functional parent albiflorin (CHEBI:132793)
IUPAC Name
[(1R,3R,4R,6S,9S)-1-(β-D-glucopyranosyloxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
Manual Xrefs Databases
C00033623 KNApSAcK
C17457 KEGG COMPOUND
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Registry Numbers Types Sources
18602070 Reaxys Registry Number Reaxys
39011-90-0 CAS Registry Number ChemIDplus
Citations
Last Modified
20 January 2017