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CHEBI:188795 - WWL113

ChEBI IDCHEBI:188795
ChEBI NameWWL113
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H26N2O4
Net Charge0
Average Mass466.537
Monoisotopic Mass466.18926
SMILESCCOC(=O)c1ccc(-c2ccc(OC(=O)N(C)Cc3cccc(-c4ccncc4)c3)cc2)cc1
InChIInChI=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
InChIKeyAKIIPHDGVCFVCC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
WWL113 (CHEBI:188795) is a biphenyls (CHEBI:22888)
IUPAC Name 
ethyl 4-[4-[methyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]oxyphenyl]benzoate
Manual XrefsDatabases
29776431ChemSpider