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CHEBI:216394 - JBIR-94

ChEBI IDCHEBI:216394
ChEBI NameJBIR-94
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32N2O6
Net Charge0
Average Mass444.528
Monoisotopic Mass444.22604
SMILESCOc1cc(CCC(=O)NCCCCNC(=O)CCc2ccc(O)c(OC)c2)ccc1O
InChIInChI=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)
InChIKeyOHINCKONHZEPNF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies R56-07 (ncbitaxon:1070430) - PubMed (22233425)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
23550475ChemSpider