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roseoflavin

Properties

Image

Occurences in reactions

MNX_ID

MNXM12900

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₁₈H₂₂N₅O₆

charge

-1

mass

404.15756

reference

chebi:136521

InChIKey

IGQLDUYTWDABFK-GUTXKFCHSA-M

InChI

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

SMILES

Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136521 chebi:136521	roseoflavin 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol roseoflavin(1-)
seed.compound:cpd35687 seedM:cpd35687	8-demethyl-8-(dimethylamino)riboflavin roseoflavin
kegg.compound:C21647 keggC:C21647	Roseoflavin 8-Demethyl-8-(dimethylamino)riboflavin
CHEBI:72346 chebi:72346	roseoflavin 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol 8-demethyl-8-(dimethylamino)riboflavin Roseoflavine
metacyc.compound:CPD-19833 metacycM:CPD-19833	roseoflavin 8-demethyl-8-(dimethylamino)riboflavin
keggC:M_C21647 seedM:M_cpd35687	secondary/obsolete/fantasy identifier