(Q115946659)

English

[6-Sulfooxyimino-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexyl] benzoate

group of stereoisomers with the chemical formula C₁₉H₂₇NO₁₁S₂

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Statements

group of stereoisomers

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chemical compound

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509.102552684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₇NO₁₁S₂

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canonical SMILES

O=C(OCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)C=2C=CC=CC2

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Arabidopsis thaliana

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Benzoic acid glucosinolate esters and other glucosinolates from Arabidopsis thaliana

Identifiers

InChI=1S/C19H27NO11S2/c21-11-13-15(22)16(23)17(24)19(30-13)32-14(20-31-33(26,27)28)9-5-2-6-10-29-18(25)12-7-3-1-4-8-12/h1,3-4,7-8,13,15-17,19,21-24H,2,5-6,9-11H2,(H,26,27,28)

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LGEQIQASZQVYEB-UHFFFAOYSA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

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