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CHEBI:41502 - CARBA-GLUCOTROPAEOLIN

Default Structure
ChEBI IDCHEBI:41502
ChEBI NameCARBA-GLUCOTROPAEOLIN
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC15H21NO8S2
Net Charge0
Average Mass407.466
Monoisotopic Mass407.07086
SMILES[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@]([H])(S/C(=N\OS(=O)(=O)O[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-/t10-,11-,13-,14+,15+/m1/s1
InChIKeyLZDZCEOFJWRJIA-GGASBGQWSA-N
ChEBI Ontology
Outgoing Relation(s)
CARBA-GLUCOTROPAEOLIN (CHEBI:41502) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioatePDBeChem
CARBA-GLUCOTROPAEOLINPDBeChem
Manual XrefsDatabases
CGTPDBeChem