(Q27106759)

GLUCOIBERVIRIN (English)

5 October 2016

chemical formula

C₁₁H₂₀NO₉S₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

GLUCOIBERVIRIN (English)

5 October 2016

isomeric SMILES

CSCCC/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

GLUCOIBERVIRIN (English)

InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/p-1/b12-7-/t6-,8-,9+,10-,11+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

GLUCOIBERVIRIN (English)

ZCZCVJVUJGULMO-IIPHORNXSA-M

5 October 2016

InChIKey

2 references

GLUCOIBERVIRIN (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

glucoiberverin(1-) (English)

5 October 2016

1 reference

GLUCOIBERVIRIN (English)

5 October 2016

Reaxys registry number

7726720

1 reference

glucoiberverin(1-) (English)

5 October 2016

ChEBI ID

5407

mapping relation type

1 reference

DSSTOX compound identifier

glucoiberverin(1-) (English)

5 October 2016

1 reference

0 references

0 references

0 references

1 reference

glucoiberverin(1-) (English)