CHEBI:187841 - JP83

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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 JP83
ChEBI ID CHEBI:187841
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28N2O3
Net Charge 0
Average Mass 416.521
Monoisotopic Mass 416.20999
InChI InChI=1S/C26H28N2O3/c27-25(29)23-15-8-13-21(18-23)22-14-9-16-24(19-22)31-26(30)28-17-7-2-1-4-10-20-11-5-3-6-12-20/h3,5-6,8-9,11-16,18-19H,1-2,4,7,10,17H2,(H2,27,29)(H,28,30)
InChIKey JMLPLSJWSHVJLP-UHFFFAOYSA-N
SMILES O(C(=O)NCCCCCCC1=CC=CC=C1)C=2C=C(C3=CC(=CC=C3)C(=O)N)C=CC2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing JP83 (CHEBI:187841) is a biphenyls (CHEBI:22888)
IUPAC Name
[3-(3-carbamoylphenyl)phenyl] N-(6-phenylhexyl)carbamate
Manual Xref Database
21467698 ChemSpider
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