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CHEBI:188539 - CYM5442

ChEBI IDCHEBI:188539
ChEBI NameCYM5442
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27N3O4
Net Charge0
Average Mass409.486
Monoisotopic Mass409.20016
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1OCC
InChIInChI=1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3
InChIKeyNUIKTBLZSPQGCP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
CYM5442 (CHEBI:188539) is a oxadiazole (CHEBI:46685)
CYM5442 (CHEBI:188539) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
Manual XrefsDatabases
28189690ChemSpider