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CHEBI:201461 - Isochlortetracycline

ChEBI IDCHEBI:201461
ChEBI NameIsochlortetracycline
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SubmitterMetaboLights
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FormulaC22H23ClN2O8
Net Charge0
Average Mass478.885
Monoisotopic Mass478.11429
SMILESCN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)CC(C3(C)OC(=O)c4c(O)ccc(Cl)c43)CC12
InChIInChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,29,32H,6-7H2,1-3H3,(H2,24,30)
InChIKeyZDCFZNSICAQKSV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isochlortetracycline (CHEBI:201461) is a benzofurans (CHEBI:35259)
IUPAC Name 
(4S,4aS,6S,8aR)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-2-benzouran-1-yl]-4-(dimethylamino)-1,8a-dihydroxy-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide
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49697277ChemSpider