CHEBI:176051 - Rumexoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Rumexoside
ChEBI ID CHEBI:176051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22O10
Net Charge 0
Average Mass 422.386
Monoisotopic Mass 422.12130
InChI InChI=1S/C20H22O10/c1-7-3-9-4-10(19(27)28)5-11(14(9)16(24)13(7)8(2)22)29-20-18(26)17(25)15(23)12(6-21)30-20/h3-5,12,15,17-18,20-21,23-26H,6H2,1-2H3,(H,27,28)
InChIKey GPYNRGVKMWCYIE-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C3C(=CC(=C2)C(O)=O)C=C(C(=C3O)C(=O)C)C)CO
ChEBI Ontology
Outgoing Rumexoside (CHEBI:176051) is a glycoside (CHEBI:24400)
IUPAC Name
6-acetyl-5-hydroxy-7-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid
Manual Xrefs Databases
20479195 ChemSpider
HMDB0036398 HMDB
View more database links