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CHEBI:91717 - (4S,4aR,5S,12aS)-7-chloro-4-(dimethylamino)-5,10,12a-trihydroxy-6-methylene-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide

ChEBI IDCHEBI:91717
ChEBI Name(4S,4aR,5S,12aS)-7-chloro-4-(dimethylamino)-5,10,12a-trihydroxy-6-methylene-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
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DownloadsMolfile
FormulaC22H21ClN2O8
Net Charge0
Average Mass476.869
Monoisotopic Mass476.09864
SMILESC=C1c2c(Cl)ccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)C12
InChIInChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,12-15,17,26,28,33H,1H2,2-3H3,(H2,24,32)/t10?,12?,13?,14-,15+,17+,22+/m1/s1
InChIKeyYKYBWGJKLYMCFI-SKNFAPOLSA-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)
(4S,4aR,5S,12aS)-7-chloro-4-(dimethylamino)-5,10,12a-trihydroxy-6-methylene-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide (CHEBI:91717) is a tetracyclines (CHEBI:26895)
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