(Q105222952)

English

[(4E)-5-{[(2-hydroxyethyl)-C-hydroxycarbonimidoyl](phenyl)methylidene}-1,3-dioxolan-4-ylidene](phenyl)acetic acid

chemical compound

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Statements

type of chemical entity

0 references

2-[5-[2-(2-Hydroxyethylamino)-2-oxo-1-phenylethylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetic acid

1 reference

based on heuristic

inferred from InChIKey

381.121237328 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₁₉NO₆

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canonical SMILES

O=C(O)C(=C1OCOC1=C(C(=O)NCCO)c1ccccc1)c1ccccc1

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isomeric SMILES

O=C(NCCO)C(=C1OCO/C1=C(/C(=O)O)c1ccccc1)c1ccccc1

1 reference

based on heuristic

inferred from InChI

Tricholoma ustale

1 reference

Ustalic acid as a toxin and related compounds from the mushroom Tricholoma ustale.

Identifiers

InChI=1S/C21H19NO6/c23-12-11-22-20(24)16(14-7-3-1-4-8-14)18-19(28-13-27-18)17(21(25)26)15-9-5-2-6-10-15/h1-10,23H,11-13H2,(H,22,24)(H,25,26)/b18-16?,19-17+

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QJWXHSZIFLBCKC-DKEWFCAXSA-N

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