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CHEBI:201594 - alpha-Apooxytetracycline

ChEBI IDCHEBI:201594
ChEBI Namealpha-Apooxytetracycline
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22N2O8
Net Charge0
Average Mass442.424
Monoisotopic Mass442.13762
SMILESCc1c2c(c(O)c3c(O)cccc13)C(=O)OC2C1C(O)C(=O)C(C(N)=O)=C(O)C1N(C)C
InChIInChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)20(32-22(12)31)13-15(24(2)3)17(27)14(21(23)30)19(29)18(13)28/h4-6,13,15,18,20,25-28H,1-3H3,(H2,23,30)
InChIKeyDRKMHDAKULCOKQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-Apooxytetracycline (CHEBI:201594) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3S,4S,5S)-4-[(1R)-4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[][2]benzouran-1-yl]-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
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