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CHEBI:28782 - gentianose

ChEBI IDCHEBI:28782
ChEBI Namegentianose
Stars
DefinitionA trisaccharide composed of β-D-glucopyranose, α-D-glucopyranose and β-D-fructofuranose units.
Secondary ChEBI IDsCHEBI:10372, CHEBI:22765
Last Modified1 September 2014
DownloadsMolfile
FormulaC18H32O16
Net Charge0
Average Mass504.438
Monoisotopic Mass504.16903
SMILESOC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1a_1-5][ha122h-2b_2-5][a2122h-1b_1-5]/1-2-3/a1-b2_a6-c1
InChIInChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1
InChIKeyMUPFEKGTMRGPLJ-WSCXOGSTSA-N
Species of MetaboliteComponentSourceComments
Gentiana algida (ncbitaxon:50748) whole plant (BTO:0001461) PubMed (8588862)
Gentiana lutea (ncbitaxon:38851) root (BTO:0001188) PubMed (24257774)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
gentianose (CHEBI:28782) has role plant metabolite (CHEBI:76924)
gentianose (CHEBI:28782) is a trisaccharide (CHEBI:27150)
IUPAC Name 
β-D-fructofuranosyl β-D-glucopyranosyl-(1→6)-α-D-glucopyranoside
Synonyms  Source
beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranosideKEGG COMPOUND
GentianoseKEGG COMPOUND
beta-D-fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranosideChEBI
β-D-Glcp-(1→6)-α-D-Glcp-(1↔2)-β-D-FrufJCBN
Manual XrefsDatabases
C08239KEGG COMPOUND
C08239KEGG COMPOUND
C00001135KNApSAcK
HMDB0034072HMDB
EP2351484Patent
US2011251068Patent
WO2010047050Patent
Registry NumbersSources
Reaxys:99541Reaxys
CAS:25954-44-3KEGG COMPOUND
Citations