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CHEBI:156276 - fagopyritol A1

ChEBI IDCHEBI:156276
ChEBI Namefagopyritol A1
Stars
DefinitionAn α-D-galactoside having a 1D-chiro-inositol substituent at the anomeric position.
Last Modified5 August 2020
Submittermwilliams
DownloadsMolfile
FormulaC12H22O11
Net Charge0
Average Mass342.297
Monoisotopic Mass342.11621
SMILESOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5-,6+,7+,8-,9+,10-,11+,12-/m1/s1
InChIKeyVCWMRQDBPZKXKG-LTSXGCBZSA-N
Species of MetaboliteComponentSourceComments
Fagopyrum esculentum (ncbitaxon:3617) seed (BTO:0001226) PubMed (11093720)
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)
fagopyritol A1 (CHEBI:156276) has functional parent 1D-chiro-inositol (CHEBI:27372)
fagopyritol A1 (CHEBI:156276) has role plant metabolite (CHEBI:76924)
fagopyritol A1 (CHEBI:156276) is a α-D-galactoside (CHEBI:46953)
IUPAC Name 
(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl α-D-galactopyranoside
Synonym  Source
O-α-D-galactopyranosyl-(1→3)-1D-chiro-inositolMetaCyc
Manual XrefsDatabases
FDB021454FooDB
CPD-8257MetaCyc
HMDB0039876HMDB
Citations