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M  END
> <ID>
CHEBI:28408

> <NAME>
4-de(dimethylamino)-4-oxoanhydrotetracycline

> <DEFINITION>
A member of the class of tetracyclines that is anhydrotetracycline in which the dimethylamino group at position 4 has been replaced by a keto group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1820; CHEBI:20356

> <SYNONYM>
4-Ketoanhydrotetracycline; 4-Keto-ATC; 4-Dedimethylamino-4-oxo-anhydrotetracycline

> <IUPAC_NAME>
(4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide

> <FORMULA>
C20H15NO8

> <MASS>
397.336

> <MONOISOTOPIC_MASS>
397.07977

> <CHARGE>
0

> <SMILES>
C12=C(C[C@]3(C(C(O)=C(C([C@]3(C1=O)O)=O)C(N)=O)=O)[H])C(=C4C=CC=C(C4=C2O)O)C

> <INCHI>
InChI=1S/C20H15NO8/c1-6-7-3-2-4-10(22)11(7)15(24)12-8(6)5-9-14(23)16(25)13(19(21)28)18(27)20(9,29)17(12)26/h2-4,9,22,24-25,29H,5H2,1H3,(H2,21,28)/t9-,20-/m0/s1

> <INCHIKEY>
OJQSYBOSDDVFNO-LXGOIASLSA-N

> <REAXYS_REGISTRY_NUMBER>
2684416

> <KEGG_COMPOUND_ACCESSION>
C06627

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK07000007

> <METACYC_ACCESSION>
CPD-19272

> <PUBMED_CITATION>
18422316

$$$$