phenolphthalein diglucuronoside (Q27236455)

UNII-094EWY68HG (English)

13 October 2016

chemical formula

C₃₂H₃₀O₁₆

1 reference

UNII-094EWY68HG (English)

13 October 2016

canonical SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O

1 reference

UNII-094EWY68HG (English)

13 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

1 reference

UNII-094EWY68HG (English)

InChI=1S/C32H30O16/c33-19-21(35)25(27(39)40)46-30(23(19)37)44-15-9-5-13(6-10-15)32(18-4-2-1-3-17(18)29(43)48-32)14-7-11-16(12-8-14)45-31-24(38)20(34)22(36)26(47-31)28(41)42/h1-12,19-26,30-31,33-38H,(H,39,40)(H,41,42)/t19-,20-,21-,22-,23+,24+,25-,26-,30+,31+/m0/s1

13 October 2016

Identifiers

InChI

1 reference

UNII-094EWY68HG (English)

KSSXNJXUWUGBFP-MJMXWKEJSA-N

13 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-094EWY68HG (English)

13 October 2016

1 reference

UNII

094EWY68HG

phenolphthalein diglucuronoside (English)

13 October 2016

1 reference

4-{1-[4-(beta-D-Glucopyranuronosyloxy)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}phenyl beta-D-glucopyranosiduronic acid (English)

13 October 2016

1 reference

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

UNII-094EWY68HG (English)

13 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

094EWY68HG

phenolphthalein diglucuronoside (English)