(Q82854183)

English

1-O-(6,7,9,10-Tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)-beta-D-glucopyranuronic acid

group of stereoisomers with the chemical formula C₂₀H₂₁N₃O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

431.13286463199995 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₁N₃O₈

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based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)C1OC(OC(=O)N2CC3CC(C2)c2cc4nccnc4cc23)C(O)C(O)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C(O)[C@H]1O[C@@H](OC(=O)N2CC3CC(C2)c2cc4nccnc4cc23)[C@H](O)[C@@H](O)[C@@H]1O

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C20H21N3O8/c24-14-15(25)17(18(27)28)30-19(16(14)26)31-20(29)23-6-8-3-9(7-23)11-5-13-12(4-10(8)11)21-1-2-22-13/h1-2,4-5,8-9,14-17,19,24-26H,3,6-7H2,(H,27,28)/t8?,9?,14-,15-,16+,17-,19-/m0/s1

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InChIKey

FXQDTLDLQVLSRG-NUGMQPMESA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID30809301

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(Q82854183)

1-O-(6,7,9,10-Tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)-beta-D-glucopyranuronic acid

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