CHEBI:2881 - asperuloside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name asperuloside
ChEBI ID CHEBI:2881
Definition A iridoid monoterpenoid glycoside isolated from Galium verum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H22O11
Net Charge 0
Average Mass 414.36070
Monoisotopic Mass 414.11621
InChI InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChIKey IBIPGYWNOBGEMH-DILZHRMZSA-N
SMILES [H][C@]12OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]([H])(C(COC(C)=O)=C1)[C@]23[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing asperuloside (CHEBI:2881) has role metabolite (CHEBI:25212)
asperuloside (CHEBI:2881) is a β-D-glucoside (CHEBI:22798)
asperuloside (CHEBI:2881) is a γ-lactone (CHEBI:37581)
asperuloside (CHEBI:2881) is a acetate ester (CHEBI:47622)
asperuloside (CHEBI:2881) is a iridoid monoterpenoid (CHEBI:50563)
asperuloside (CHEBI:2881) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
[(2aS,4aS,5S,7bS)-5-(β-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate
Manual Xrefs Databases
C00003072 KNApSAcK
C09769 KEGG COMPOUND
JP2009209088 Patent
View more database links
Registry Numbers Types Sources
1302815 Reaxys Registry Number Reaxys
14259-45-1 CAS Registry Number KEGG COMPOUND
14259-45-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
14220867 PubMed citation Europe PMC
14220877 PubMed citation Europe PMC
14915952 PubMed citation Europe PMC
17396882 PubMed citation Europe PMC
4391591 PubMed citation Europe PMC
5815526 PubMed citation Europe PMC
Last Modified
28 July 2014