7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) (Q27126954)

1-Deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol (English)

6 October 2016

chemical formula

C₁₆H₁₆N₃O₇⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(C=C2C1=CC3=C(N=C([N-]C3=O)O)N2CC(C(C(CO)(O)[H])(O)[H])(O)[H])=O

1 reference

7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) (English)

6 October 2016

isomeric SMILES

C1=CC(C=C2C1=CC3=C(N=C([N-]C3=O)O)N2C[C@@]([C@@]([C@@](CO)(O)[H])(O)[H])(O)[H])=O

1 reference

7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) (English)

InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,21,25,26)/p-1/t11-,12+,13-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) (English)

YUTUUCYDXGWRNU-XQQFMLRXSA-M

6 October 2016

InChIKey

2 references

7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-Deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol (English)

6 October 2016

ChEBI ID

59904

mapping relation type

2 references

7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) (English)