(Q104197226)

English

Enterochellin

group of stereoisomers with the chemical formula C₃₀H₂₇N₃O₁₅

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Statements

group of stereoisomers

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1 reference

669.5477 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₂₇N₃O₁₅

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canonical SMILES

O=C(NC1COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O

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Identifiers

InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)

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SERBHKJMVBATSJ-UHFFFAOYSA-N

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1 reference

26 December 2021

UniChem compound ID

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Natural Product Atlas ID

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based on heuristic

inferred from InChIKey

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