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CHEBI:189430 - Raffinose Pentahydrate

ChEBI IDCHEBI:189430
ChEBI NameRaffinose Pentahydrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O16.5H2O
Net Charge0
Average Mass594.513
Monoisotopic Mass594.22186
SMILESO.O.O.O.O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1a_1-5][ha122h-2b_2-5][a2112h-1a_1-5]/1-2-3/a1-b2_a6-c1
InChIInChI=1S/C18H32O16.5H2O/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;5*1H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+;;;;;/m1...../s1
InChIKeyBITMAWRCWSHCRW-PFQJHCPISA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) guard cell (BTO:0000544) MetaboLights (MTBLS1326)
ChEBI Ontology
Outgoing Relation(s)
Raffinose Pentahydrate (CHEBI:189430) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate
Manual XrefsDatabases
2006261ChemSpider