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CHEBI:1368 - 3,4,3'-Tri-O-methylellagic acid

ChEBI IDCHEBI:1368
ChEBI Name3,4,3'-Tri-O-methylellagic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H12O8
Net Charge0
Average Mass344.275
Monoisotopic Mass344.05322
SMILESCOc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34
InChIInChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3
InChIKeyLXEQIOGTMDLLEC-UHFFFAOYSA-N
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)
3,4,3'-Tri-O-methylellagic acid (CHEBI:1368) is a tannin (CHEBI:26848)
Synonym  Source
3,4,3'-Tri-O-methylellagic acidKEGG COMPOUND
Manual XrefsDatabases
C10836KEGG COMPOUND
C00002678KNApSAcK
Registry NumbersSources
CAS:5145-53-9KEGG COMPOUND