Acrodontiolamide (CHEBI:227736)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Acrodontiolamide

ChEBI ID	CHEBI:227736

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H12Cl2N2O5

Net Charge

Average Mass

323.130

Monoisotopic Mass

322.01233

InChI

InChI=1S/C11H12Cl2N2O5/c12-11(13)20-5-8(10(14)17)9(16)6-1-3-7(4-2-6)15(18)19/h1-4,8-9,11,16H,5H2,(H2,14,17)

InChIKey

FHDPTOGOPLCNDA-UHFFFAOYSA-N

SMILES

ClC(Cl)OCC(C(=O)N)C(O)C1=CC=C([N+](=O)[O-])C=C1

Metabolite of Species	Details
Acrodontium salmoneum (NCBI:txid2074753)	See: DOI

ChEBI Ontology
Outgoing	Acrodontiolamide (CHEBI:227736) is a C-nitro compound (CHEBI:35716)

IUPAC Name

2-(dichloromethoxymethyl)-3-hydroxy-3-(4-nitrophenyl)propanamide