CHEBI:6065 - Isoterchebin

ChEBI IDCHEBI:6065
ChEBI NameIsoterchebin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H30O27
Net Charge0
Average Mass954.664
Monoisotopic Mass954.09745
SMILESO=C1OC[C@H]2O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]2OC(=O)c2cc(O)c(O)c3c2[C@H]2C1=CC(=O)[C@@](O)(O3)C2(O)O
InChIInChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25-,30-,32+,33-,39+,41-/m1/s1
InChIKeyQFJVFTCFAZSXCY-KUZSCSPXSA-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)
Isoterchebin (CHEBI:6065) is a tannin (CHEBI:26848)
Synonyms  Source
IsoterchebinKEGG COMPOUND
TrapainKEGG COMPOUND
Manual XrefsDatabases
C10232KEGG COMPOUND
C00002928KNApSAcK
Registry NumbersSources
CAS:58690-20-3KEGG COMPOUND