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CHEBI:193563 - inulotriose

ChEBI IDCHEBI:193563
ChEBI Nameinulotriose
Stars
Submittermwilliams
DownloadsMolfile
FormulaC18H32O16
Net Charge0
Average Mass504.438
Monoisotopic Mass504.16903
SMILESO=C(CO[C@]1(CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO
WURCSWURCS=2.0/2,3,2/[hO122h][ha122h-2b_2-5]/1-2-2/a1-b2_b1-c2
InChIInChI=1S/C18H32O16/c19-1-7(23)11(25)12(26)8(24)4-31-18(16(30)14(28)10(3-21)34-18)6-32-17(5-22)15(29)13(27)9(2-20)33-17/h7,9-16,19-23,25-30H,1-6H2/t7-,9-,10-,11-,12-,13-,14-,15+,16+,17-,18-/m1/s1
InChIKeyUVEIHXHNEIMXTD-VORSWSGSSA-N
Species of MetaboliteComponentSourceComments
Nicotiana tabacum (ncbitaxon:4097) leaf (BTO:0000713) MetaboLights (MTBLS2042) Strain: Nicotiana tabacum cv. Petit Havana
ChEBI Ontology
Outgoing Relation(s)
inulotriose (CHEBI:193563) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(3S,4R,5R)-1-[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5,6-tetrahydroxyhexan-2-one
Registry NumbersSources
CAS:58208-59-6SUBMITTER