CHEBI:2929 - auriculoside

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ChEBI Name auriculoside
ChEBI ID CHEBI:2929
Definition A flavan glycoside that is (2S)-flavan substituted by a methoxy group at position 4', hydroxy groups at positions 7 and 5' and a β-D-glucopyranosyloxy group at position 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H26O10
Net Charge 0
Average Mass 450.43580
Monoisotopic Mass 450.15260
InChI InChI=1S/C22H26O10/c1-29-21-13(25)6-11(14-5-3-10-2-4-12(24)8-15(10)30-14)7-16(21)31-22-20(28)19(27)18(26)17(9-23)32-22/h2,4,6-8,14,17-20,22-28H,3,5,9H2,1H3/t14-,17+,18+,19-,20+,22+/m0/s1
InChIKey IJMWYFHXJWRHQH-PSWNVJQFSA-N
SMILES COc1c(O)cc(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCc2ccc(O)cc2O1
Metabolite of Species Details
Acacia auriculiformis (NCBI:txid205027) See: DOI
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing auriculoside (CHEBI:2929) has functional parent (2S)-flavan (CHEBI:36103)
auriculoside (CHEBI:2929) has role plant metabolite (CHEBI:76924)
auriculoside (CHEBI:2929) is a β-D-glucoside (CHEBI:22798)
auriculoside (CHEBI:2929) is a flavan glycoside (CHEBI:85938)
auriculoside (CHEBI:2929) is a hydroxyflavan (CHEBI:72010)
auriculoside (CHEBI:2929) is a methoxyflavan (CHEBI:72585)
auriculoside (CHEBI:2929) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
3-hydroxy-5-[(2S)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-2-methoxyphenyl β-D-glucopyranoside
Synonym Source
7,3',5'-Trihydroxy-4'-methoxyflavan 3'-glucoside KEGG COMPOUND
Manual Xrefs Databases
C00008764 KNApSAcK
C09478 KEGG COMPOUND
LMPK12020249 LIPID MAPS
View more database links
Registry Numbers Types Sources
5664400 Reaxys Registry Number Reaxys
75871-96-4 CAS Registry Number KEGG COMPOUND
Last Modified
04 June 2015