CHEBI:69796 - aucubin

ChEBI IDCHEBI:69796
ChEBI Nameaucubin
Stars
Secondary ChEBI IDCHEBI:2919
Last Modified1 October 2020
DownloadsMolfile
FormulaC15H22O9
Net Charge0
Average Mass346.332
Monoisotopic Mass346.12638
SMILES[H][C@@]1(O[C@@H]2OC=C[C@@]3([H])[C@H](O)C=C(CO)[C@@]23[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
InChIKeyRJWJHRPNHPHBRN-FKVJWERZSA-N
Species of MetaboliteComponentSourceComments
Veronica lavaudiana (ncbitaxon:124267) - PubMed (21568305) MeOH extract of plant material
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
aucubin (CHEBI:69796) has role metabolite (CHEBI:25212)
aucubin (CHEBI:69796) is a organic molecular entity (CHEBI:50860)
Incoming Relation(s)
agnuside (CHEBI:2515) has functional parent aucubin (CHEBI:69796)
Synonyms  Source
AucubinKEGG COMPOUND
RhinanthinChEBI
(1S,4aR,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranosideChEBI
Manual XrefsDatabases
C09771KEGG COMPOUND
C00003073KNApSAcK
Registry NumbersSources
CAS:479-98-1KEGG COMPOUND
CAS:479-98-1ChemIDplus
Citations