WWL113 (CHEBI:188795)

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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	WWL113

ChEBI ID	CHEBI:188795

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C29H26N2O4

Net Charge

Average Mass

466.537

Monoisotopic Mass

466.18926

InChI

InChI=1S/C29H26N2O4/c1-3-34-28(32)25-9-7-22(8-10-25)23-11-13-27(14-12-23)35-29(33)31(2)20-21-5-4-6-26(19-21)24-15-17-30-18-16-24/h4-19H,3,20H2,1-2H3

InChIKey

AKIIPHDGVCFVCC-UHFFFAOYSA-N

SMILES

O(C(=O)N(CC1=CC(=CC=C1)C2=CC=NC=C2)C)C3=CC=C(C4=CC=C(C=C4)C(OCC)=O)C=C3

Metabolite of Species	Details
Phyllostachys violascens (NCBI:txid1903417)	Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study

ChEBI Ontology
Outgoing	WWL113 (CHEBI:188795) is a biphenyls (CHEBI:22888)

IUPAC Name

ethyl 4-[4-[methyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]oxyphenyl]benzoate