(Q72440619)

English

4-Aminophenyl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

group of stereoisomers with the chemical formula C₁₈H₂₇NO₁₁

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Statements

group of stereoisomers

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chemical compound

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433.15841068399993 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₇NO₁₁

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canonical SMILES

Nc1ccc(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)C2O)cc1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C18H27NO11/c19-7-1-3-8(4-2-7)27-17-15(26)13(24)16(10(6-21)29-17)30-18-14(25)12(23)11(22)9(5-20)28-18/h1-4,9-18,20-26H,5-6,19H2/t9?,10?,11-,12+,13-,14?,15?,16-,17-,18+/m1/s1

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OCHWUNNDLIWPAO-JWYKEARVSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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