Turgorin (Q27108495)

Turgorin (English)

5 October 2016

C₁₃H₁₅O₁₃S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)COS(=O)(=O)[O-])O)O)O)O)C(=O)O

1 reference

Turgorin (English)

5 October 2016

C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])O)O)O)O)C(=O)O

1 reference

Turgorin (English)

InChI=1S/C13H16O13S/c14-5-1-4(12(19)20)2-6(15)11(5)26-13-10(18)9(17)8(16)7(25-13)3-24-27(21,22)23/h1-2,7-10,13-18H,3H2,(H,19,20)(H,21,22,23)/p-1/t7-,8-,9+,10-,13+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

Turgorin (English)

5 October 2016

2 references

Turgorin (English)

5 October 2016

ChEBI release 2020-09-01

1 reference

Turgorin (English)

5 October 2016

1 reference

4-Carboxy-2,6-dihydroxyphenyl 6-O-sulfonato-beta-D-glucopyranoside (English)

5 October 2016

2 references

Turgorin (English)

5 October 2016

InChIKey

102296196

1 reference

InChIKey

ChEBI ID

9780

mapping relation type

2 references

Turgorin (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C13H16O13S/c14-5-1-4(12(19)20)2-6(15)11(5)26-13-10(18)9(17)8(16)7(25-13)3-24-27(21,22)23/h1-2,7-10,13-18H,3H2,(H,19,20)(H,21,22,23)/p-1/t7-,8-,9+,10-,13+/m1/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

InChIKey

DSSTOX compound identifier

0 references

1 reference

Turgorin (English)

5 October 2016

1 reference

Turgorin (English)