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CHEBI:2606 - Alnusiin

ChEBI IDCHEBI:2606
ChEBI NameAlnusiin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H26O26
Net Charge0
Average Mass934.633
Monoisotopic Mass934.07123
SMILESO=C1OC[C@H]2OC(O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c3oc(=O)c4cc(O)c(c(O)c4c23)Oc2c1cc(O)c(O)c2O
InChIInChI=1S/C41H26O26/c42-12-1-7-18(26(51)22(12)47)19-8(2-13(43)23(48)27(19)52)39(58)67-35-34(66-38(7)57)32-17(62-41(35)60)6-61-36(55)11-5-14(44)24(49)29(54)30(11)63-31-16(46)4-9-20(28(31)53)21-10(40(59)64-32)3-15(45)25(50)33(21)65-37(9)56/h1-5,17,32,34-35,41-54,60H,6H2/t17-,32-,34+,35-,41?/m1/s1
InChIKeyOAZHOQDMOPZBMN-RBKPYHMISA-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)
Alnusiin (CHEBI:2606) is a tannin (CHEBI:26848)
Synonym  Source
AlnusiinKEGG COMPOUND
Manual XrefsDatabases
C10211KEGG COMPOUND
C00002908KNApSAcK
Registry NumbersSources
CAS:78836-99-4KEGG COMPOUND