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CHEBI:5534 - Grandidentatin

ChEBI IDCHEBI:5534
ChEBI NameGrandidentatin
Stars
Last Modified22 June 2017
DownloadsMolfile
FormulaC21H28O9
Net Charge0
Average Mass424.446
Monoisotopic Mass424.17333
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O[C@@H]2CCCC[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15+,16+,18+,19-,20+,21+/m0/s1
InChIKeyZTMPDTJBTNGZJH-QMZLQNRASA-N
ChEBI Ontology
Outgoing Relation(s)
Grandidentatin (CHEBI:5534) is a cinnamate ester (CHEBI:36087)
Synonym  Source
GrandidentatinKEGG COMPOUND
Manual XrefsDatabases
C10463KEGG COMPOUND
C00002749KNApSAcK
Registry NumbersSources
CAS:15732-48-6KEGG COMPOUND