XR-333 (CHEBI:204766)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	XR-333

ChEBI ID	CHEBI:204766

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H20N2O3

Net Charge

Average Mass

348.402

Monoisotopic Mass

348.14739

InChI

InChI=1S/C21H20N2O3/c1-22-18(13-15-7-5-4-6-8-15)20(24)23(2)19(21(22)25)14-16-9-11-17(26-3)12-10-16/h4-14H,1-3H3/b18-13-,19-14-

InChIKey

YDPQVSQFKWECNM-SXQSXHJWSA-N

SMILES

O=C/1N(/C(/C(=O)N(\C1=C/C2=CC=C(OC)C=C2)C)=C\C3=CC=CC=C3)C

Metabolite of Species	Details
Streptomycesspecies (NCBI:txid1931)	See: PubMed

ChEBI Ontology
Outgoing	XR-333 (CHEBI:204766) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

(3Z,6Z)-3-benzylidene-6-[(4-methoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione