EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:137515 - isograndidentatin A

ChEBI IDCHEBI:137515
ChEBI Nameisograndidentatin A
Stars
Last Modified22 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC21H28O9
Net Charge0
Average Mass424.446
Monoisotopic Mass424.17333
SMILESO=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@@H]2CCCC[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H28O9/c22-13-8-5-12(6-9-13)7-10-17(24)28-11-16-18(25)19(26)20(27)21(30-16)29-15-4-2-1-3-14(15)23/h5-10,14-16,18-23,25-27H,1-4,11H2/b10-7+/t14-,15+,16+,18+,19-,20+,21+/m0/s1
InChIKeyQQKOAMNTTDEEBB-QMZLQNRASA-N
ChEBI Ontology
Outgoing Relation(s)
isograndidentatin A (CHEBI:137515) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
(1R,2S)-2-hydroxycyclohexyl 2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside