EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:137516 - isograndidentatin B

ChEBI IDCHEBI:137516
ChEBI Nameisograndidentatin B
Stars
Last Modified22 June 2017
Submittermwilliams
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](O)[C@H](O[C@@H]2CCCC[C@@H]2O)O[C@@H]1CO
InChIInChI=1S/C21H28O9/c22-11-16-20(30-17(25)10-7-12-5-8-13(23)9-6-12)18(26)19(27)21(29-16)28-15-4-2-1-3-14(15)24/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15+,16+,18+,19+,20+,21+/m0/s1
InChIKeyTZWAFPWWIBLZIV-UFIIWJGOSA-N
ChEBI Ontology
Outgoing Relation(s)
isograndidentatin B (CHEBI:137516) is a cinnamate ester (CHEBI:36087)
Synonym  Source
(1R,2S)-2-hydroxycyclohexyl 4-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosideChEBI