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CHEBI:5196 - furcatin

ChEBI IDCHEBI:5196
ChEBI Namefurcatin
Stars
DefinitionA disaccharide derivative that is β-D-apiofuranosyl-(1→6)-D-glucopyranose with a 4-(prop-2-en-1-yl)phenyl group substituent.
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H28O10
Net Charge0
Average Mass428.434
Monoisotopic Mass428.16825
SMILESC=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C20H28O10/c1-2-3-11-4-6-12(7-5-11)29-18-16(24)15(23)14(22)13(30-18)8-27-19-17(25)20(26,9-21)10-28-19/h2,4-7,13-19,21-26H,1,3,8-10H2/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1
InChIKeyHLTAEJNADMCLOV-LTRJMQNCSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
furcatin (CHEBI:5196) has functional parent β-D-apiofuranosyl-(1→6)-D-glucopyranose (CHEBI:55406)
furcatin (CHEBI:5196) has role metabolite (CHEBI:25212)
furcatin (CHEBI:5196) is a disaccharide derivative (CHEBI:63353)
IUPAC Name 
4-(prop-2-en-1-yl)phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranoside
Synonym  Source
β-D-apiofuranosyl-(1→6)-D-glucopyranosyl-4-(prop-2-en-1-yl)phenylChEBI
Manual XrefsDatabases
C10458KEGG COMPOUND
CPD-14703MetaCyc
C00002745KNApSAcK
Registry NumbersSources
Reaxys:6444066Reaxys
CAS:499-33-2KEGG COMPOUND