CHEBI:216394 - JBIR-94

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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 JBIR-94
ChEBI ID CHEBI:216394
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32N2O6
Net Charge 0
Average Mass 444.528
Monoisotopic Mass 444.22604
InChI InChI=1S/C24H32N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-6,9-10,15-16,27-28H,3-4,7-8,11-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey OHINCKONHZEPNF-UHFFFAOYSA-N
SMILES O=C(NCCCCNC(=O)CCC1=CC(OC)=C(O)C=C1)CCC2=CC(OC)=C(O)C=C2
Metabolite of Species Details
Streptomycesspecies R56-07 (NCBI:txid1070430) See: PubMed
ChEBI Ontology
Outgoing JBIR-94 (CHEBI:216394) is a methoxybenzenes (CHEBI:51683)
JBIR-94 (CHEBI:216394) is a phenols (CHEBI:33853)
IUPAC Name
3-(4-hydroxy-3-methoxyphenyl)-N-[4-[3-(4-hydroxy-3-methoxyphenyl)propanoylamino]butyl]propanamide
Manual Xref Database
23550475 ChemSpider
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