EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191529 - 3-Methylellagic acid 8-rhamnoside

Default Structure
ChEBI IDCHEBI:191529
ChEBI Name3-Methylellagic acid 8-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O12
Net Charge0
Average Mass462.363
Monoisotopic Mass462.07983
SMILESCOc1c(O)cc2c(=O)oc3c(OC4OC(C)C(O)C(O)C4O)c(O)cc4c(=O)oc1c2c34
InChIInChI=1S/C21H18O12/c1-5-12(24)13(25)14(26)21(30-5)33-16-9(23)4-7-11-10-6(20(28)32-18(11)16)3-8(22)15(29-2)17(10)31-19(7)27/h3-5,12-14,21-26H,1-2H3
InChIKeyUNIJYMVRSKZTJI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
3-Methylellagic acid 8-rhamnoside (CHEBI:191529) is a tannin (CHEBI:26848)
IUPAC Name 
6,13-dihydroxy-7-methoxy-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Manual XrefsDatabases
HMDB0037079HMDB