roseoflavin

Chemical Formula:

C₁₈H₂₂N₅O₆

Molecular Weight:

404.402 Daltons

Monoisotopic Mass:

405.1648334969 Daltons

SMILES:

CC1(C=C3(C(=CC(N(C)C)=1)N(CC(O)C(O)C(O)CO)C2(C(C(=O)[N-]C(=O)N=2)=N3)))

InChI:

1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/p-1/t12-,13+,15-/m0/s1

InChIKey:

IGQLDUYTWDABFK-GUTXKFCHSA-M

Synonyms

8-demethyl-8-(dimethylamino)riboflavin

Databases

MetaCyc: CPD-19833

ChEBI: 136521

PubChem (CID): 126456462