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CHEBI:3451 - Casimiroedine

ChEBI IDCHEBI:3451
ChEBI NameCasimiroedine
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC21H27N3O6
Net Charge0
Average Mass417.462
Monoisotopic Mass417.18999
SMILESCN(CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cn1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20-,21-/m1/s1
InChIKeyCSFQQZOIHVWGMN-BBAXEOEJSA-N
ChEBI Ontology
Outgoing Relation(s)
Casimiroedine (CHEBI:3451) is a cinnamamides (CHEBI:23247)
Casimiroedine (CHEBI:3451) is a tertiary carboxamide (CHEBI:140326)
Synonym  Source
CasimiroedineKEGG COMPOUND
Manual XrefsDatabases
C10577KEGG COMPOUND
C00002321KNApSAcK
HMDB0030274HMDB
Registry NumbersSources
CAS:5853-02-1KEGG COMPOUND