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CHEBI:3584 - Chebulinic acid

ChEBI IDCHEBI:3584
ChEBI NameChebulinic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H32O27
Net Charge0
Average Mass956.680
Monoisotopic Mass956.11310
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](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)[C@H]2CC(=O)O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1
InChIKeyYGVHOSGNOYKRIH-FJPMMHPYSA-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)
Chebulinic acid (CHEBI:3584) is a tannin (CHEBI:26848)
Synonym  Source
Chebulinic acidKEGG COMPOUND
Manual XrefsDatabases
C10215KEGG COMPOUND
C00002912KNApSAcK
Registry NumbersSources
CAS:18942-26-2KEGG COMPOUND