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CHEBI:201769 - Spectinomycin Sulfate Tetrahydrate

ChEBI IDCHEBI:201769
ChEBI NameSpectinomycin Sulfate Tetrahydrate
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FormulaC14H24N2O7.4H2O.H2O4S
Net Charge0
Average Mass502.492
Monoisotopic Mass502.16799
SMILESCNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.O.O.O.O.O=S(=O)(O)O
InChIInChI=1S/C14H24N2O7.H2O4S.4H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4;;;;/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4);4*1H2
InChIKeyOBZDRKHRQYPQDZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spectinomycin Sulfate Tetrahydrate (CHEBI:201769) is a organic sulfate (CHEBI:25704)
IUPAC Name 
suluric acid;(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;tetrahydrate
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58304ChemSpider