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CHEBI:3583 - Chebulagic acid

ChEBI IDCHEBI:3583
ChEBI NameChebulagic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H30O27
Net Charge0
Average Mass954.664
Monoisotopic Mass954.09745
SMILES[H][C@]12c3c(cc(O)c(O)c3OC(=O)[C@H]1O)C(=O)O[C@H]1[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]1[C@@H]3OC(=O)[C@H]2CC(=O)O
InChIInChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1
InChIKeyHGJXAVROWQLCTP-YABCKIEDSA-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)
Chebulagic acid (CHEBI:3583) is a tannin (CHEBI:26848)
Synonym  Source
Chebulagic acidKEGG COMPOUND
Manual XrefsDatabases
C10214KEGG COMPOUND
C00002911KNApSAcK
Registry NumbersSources
CAS:23094-71-5KEGG COMPOUND