(Q27106763)

Gluconapin (English)

5 October 2016

C₁₁H₁₈NO₉S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=CCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O

1 reference

Gluconapin (English)

5 October 2016

C=CCC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

1 reference

InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/p-1/b12-7-/t6-,8-,9+,10-,11+/m1/s1

Gluconapin (English)

retrieved

5 October 2016

Identifiers

InChI

1 reference

PLYQBXHVYUJNQB-IIPHORNXSA-M

Gluconapin (English)

5 October 2016

2 references

Gluconapin (English)

5 October 2016

ChEBI release 2020-09-01

1 reference

gluconapin(1-) (English)

5 October 2016

1 reference

Gluconapin (English)

retrieved

5 October 2016

Reaxys registry number

5157931

0 references

ChEBI ID

5411

mapping relation type

1 reference

DSSTOX compound identifier

gluconapin(1-) (English)

5 October 2016

1 reference

0 references

DTXCID201369065

0 references

Human Metabolome Database ID

0 references

0 references

1 reference