CHEBI:69796 - aucubin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aucubin
ChEBI ID CHEBI:69796
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:2919
Supplier Information
Download Molfile XML SDF
Formulae C15H22O9
C15H22O9
Net Charge 0
Average Mass 346.32980
Monoisotopic Mass 346.12638
InChI InChI=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
InChIKey RJWJHRPNHPHBRN-FKVJWERZSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](O)C=C(CO)[C@@]12[H]
Metabolite of Species Details
Veronica lavaudiana (NCBI:txid124267) MeOH extract of plant material See: PubMed
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 aucubin (CHEBI:69796) has role metabolite (CHEBI:25212)
aucubin (CHEBI:69796) is a organic molecular entity (CHEBI:50860)
Incoming agnuside (CHEBI:2515) has functional parent aucubin (CHEBI:69796)
Synonyms Sources
(1S,4aR,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside ChEBI
Aucubin KEGG COMPOUND
Rhinanthin ChEBI
Manual Xrefs Databases
C00003073 KNApSAcK
C09771 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
479-98-1 CAS Registry Number KEGG COMPOUND
479-98-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21568305 PubMed citation Europe PMC
Last Modified
01 October 2020