(Q27124303)

CHEBI:55452 (English)

6 October 2016

chemical formula

C₂₁H₁₈O₁₆S₂²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COS(=O)(=O)[O-])O)O)O)OS(=O)(=O)[O-]

1 reference

CHEBI:55452 (English)

6 October 2016

isomeric SMILES

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)[O-])O)O)O)OS(=O)(=O)[O-]

1 reference

CHEBI:55452 (English)

InChI=1S/C21H20O16S2/c22-13-5-11(35-21-20(26)19(25)18(24)15(36-21)8-34-38(27,28)29)6-14-16(13)17(23)12(7-33-14)9-1-3-10(4-2-9)37-39(30,31)32/h1-7,15,18-22,24-26H,8H2,(H,27,28,29)(H,30,31,32)/p-2/t15-,18-,19+,20-,21-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:55452 (English)

VGZJAQZQOABSPV-CMWLGVBASA-L

6 October 2016

InChIKey

2 references

CHEBI:55452 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-{5-Hydroxy-4-oxo-7-[(6-O-sulfonato-beta-D-glucopyranosyl)oxy]-4H-chromen-3-yl}phenyl sulfate (English)

6 October 2016

1 reference

CHEBI:55452 (English)

6 October 2016

ChEBI ID

55452

mapping relation type

1 reference