4-dedimethylamino-4-oxoanhydrotetracycline

Chemical Formula:

C₂₀H₁₄NO₈

Molecular Weight:

396.332 Daltons

Monoisotopic Mass:

397.0797664635 Daltons

SMILES:

CC1(C4(C(C(O)=C2(C(=O)C3(O)(C(=O)C(C(=O)N)=C([O-])C(=O)[CH](CC=12)3)))=C(O)C=CC=4))

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)/p-1/t9-,20-/m0/s1

InChIKey:

OJQSYBOSDDVFNO-LXGOIASLSA-M

Synonyms

4-keto-ATC
4-oxo-anhydrotetracycline
(4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide

Databases

MetaCyc: CPD-19272

ChEBI: 132737

PubChem (CID): 122706347

KEGG: C06627

Seed: cpd04031

MetaNetX: MNXM37410