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CHEBI:5328 - Geraniin

ChEBI IDCHEBI:5328
ChEBI NameGeraniin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H28O27
Net Charge0
Average Mass952.648
Monoisotopic Mass952.08180
SMILESO=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O
InChIInChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1
InChIKeyJQQBXPCJFAKSPG-SVYIMCMUSA-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)
Geraniin (CHEBI:5328) is a tannin (CHEBI:26848)
Synonym  Source
GeraniinKEGG COMPOUND
Manual XrefsDatabases
C10230KEGG COMPOUND
C00002926KNApSAcK
Registry NumbersSources
CAS:60976-49-0KEGG COMPOUND