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CHEBI:3462 - Casuarinin

ChEBI IDCHEBI:3462
ChEBI NameCasuarinin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H28O26
Net Charge0
Average Mass936.649
Monoisotopic Mass936.08688
SMILESO=C(O[C@@H]1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)O[C@H]1[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)O[C@H]1[C@H]3O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32+,34-,35+,36+/m1/s1
InChIKeyMMQXBTULXAEKQE-VSLJGAQWSA-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)
Casuarinin (CHEBI:3462) is a tannin (CHEBI:26848)
Synonym  Source
CasuarininKEGG COMPOUND
Manual XrefsDatabases
C10213KEGG COMPOUND
C00002910KNApSAcK
Registry NumbersSources
CAS:79786-01-9KEGG COMPOUND