(Q83063038)

English

beta-D-Glucopyranosiduronic acid, 1,2-dihydrohydroxy-5-((methylamino)carbonyloxy)naphthalenyl-

group of stereoisomers with the chemical formula C₁₈H₂₁NO₁₀

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Statements

group of stereoisomers

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chemical compound

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411.1165458719999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₁NO₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

CN=C(O)Oc1cccc2c1C=CC(O)C2OC1OC(C(=O)O)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CNC(=O)Oc1cccc2c1C=CC(O)C2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C18H21NO10/c1-19-18(26)27-10-4-2-3-8-7(10)5-6-9(20)14(8)28-17-13(23)11(21)12(22)15(29-17)16(24)25/h2-6,9,11-15,17,20-23H,1H3,(H,19,26)(H,24,25)/t9?,11-,12-,13+,14?,15-,17+/m0/s1

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HTSCKKJXNVBIAZ-JNGNIORHSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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