dehypoxanthine futalosinate (Q27126300)

1 February 2021

mass

295.081778±0 dalton

1 reference

CHEBI:58864 (English)

6 October 2016

chemical formula

C₁₄H₁₅O₇⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC(=C1)C(=O)[O-])C(=O)CCC2C(C(C(O2)O)O)O

1 reference

CHEBI:58864 (English)

6 October 2016

isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C(=O)CC[C@@H]2[C@H]([C@H](C(O2)O)O)O

1 reference

CHEBI:58864 (English)

InChI=1S/C14H16O7/c15-9(7-2-1-3-8(6-7)13(18)19)4-5-10-11(16)12(17)14(20)21-10/h1-3,6,10-12,14,16-17,20H,4-5H2,(H,18,19)/p-1/t10-,11-,12-,14?/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:58864 (English)

XWPBBHHZDYSYMS-ZXRVKKJVSA-M

6 October 2016

InChIKey

2 references

CHEBI:58864 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

dehypoxanthine futalosinate (English)

6 October 2016

1 reference

CHEBI:58864 (English)

6 October 2016

ChEBI ID

58864

mapping relation type

1 reference