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CHEBI:172954 - Sucrose_13C12

ChEBI IDCHEBI:172954
ChEBI NameSucrose_13C12
Stars
Last Modified30 August 2023
SubmitterMetaboLights
DownloadsMolfile
Formula[13C12]H22O11
Net Charge0
Average Mass354.205
Monoisotopic Mass354.15647
SMILESO[13CH2][13C@H]1O[13C@@]([13CH2]O)(O[13C@H]2O[13C@H]([13CH2]O)[13C@@H](O)[13C@H](O)[13C@H]2O)[13C@@H](O)[13C@@H]1O
InChIInChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
InChIKeyCZMRCDWAGMRECN-UHSKIMHLSA-N
ChEBI Ontology
Outgoing Relation(s)
Sucrose_13C12 (CHEBI:172954) is a 13C-modified compound (CHEBI:139357)
Sucrose_13C12 (CHEBI:172954) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]oxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxane-3,4,5-triol
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