CHEBI:188539 - CYM5442

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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 CYM5442
ChEBI ID CHEBI:188539
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O4
Net Charge 0
Average Mass 409.486
Monoisotopic Mass 409.20016
InChI InChI=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
InChIKey NUIKTBLZSPQGCP-UHFFFAOYSA-N
SMILES O1N=C(N=C1C2=CC(OCC)=C(OCC)C=C2)C3=C4CCC(NCCO)C4=CC=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 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 Xref Database
28189690 ChemSpider
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