6-demethylmitomycin A

Chemical Formula:

C₁₅H₁₅N₃O₆

Molecular Weight:

333.3 Daltons

Monoisotopic Mass:

334.10391026179997 Daltons

SMILES:

CC4(=C([O-])C(=O)C3(=C(N2(C[CH]1(N[CH]1C(OC)2C(COC(=O)N)3)))C(=O)4))

InChI:

1S/C15H16N3O6/c1-5-10(19)9-8(12(21)11(5)20)6(4-24-14(16)22)15(23-2)13-7(17-13)3-18(9)15/h7,13,17,20H,3-4H2,1-2H3,(H2,16,22)/p-1/t7-,13-,15+/m0/s1

InChIKey:

BZNMMIDXKCWWCQ-QWPQFENESA-M

Databases

MetaCyc: CPD-17520

PubChem (CID): 91820447 138319321

MetaNetX: MNXM146512

KEGG: C21163