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CHEBI:201682 - Sancycline hydrochloride

ChEBI IDCHEBI:201682
ChEBI NameSancycline hydrochloride
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O7.HCl
Net Charge0
Average Mass450.875
Monoisotopic Mass450.11938
SMILESCN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4CC3CC12.Cl
InChIInChI=1S/C21H22N2O7.ClH/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29;/h3-5,9-10,15,24-25,28,30H,6-7H2,1-2H3,(H2,22,29);1H
InChIKeyCIJFGLCHAOVWRZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Sancycline hydrochloride (CHEBI:201682) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
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