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CHEBI:201671 - Epianhydrochlortetracycline hydrochloride

ChEBI IDCHEBI:201671
ChEBI NameEpianhydrochlortetracycline hydrochloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21ClN2O7.HCl
Net Charge0
Average Mass497.331
Monoisotopic Mass496.08041
SMILESCc1c2c(c(O)c3c(O)ccc(Cl)c13)C(=O)C1(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C1C2.Cl
InChIInChI=1S/C22H21ClN2O7.ClH/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14;/h4-5,9,16,26-27,30,32H,6H2,1-3H3,(H2,24,31);1H
InChIKeyISGAAFMBTIWTEU-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)
Epianhydrochlortetracycline hydrochloride (CHEBI:201671) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4R,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
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57563341ChemSpider