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CHEBI:188219 - DMXB-A

ChEBI IDCHEBI:188219
ChEBI NameDMXB-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O2
Net Charge0
Average Mass308.381
Monoisotopic Mass308.15248
SMILESCOc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC)c1
InChIInChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
InChIKeyRPYWXZCFYPVCNQ-RVDMUPIBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
DMXB-A (CHEBI:188219) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
Manual XrefsDatabases
ZY7PDBeChem
4470526ChemSpider
C19905KEGG COMPOUND
DB05708DrugBank
Registry NumbersSources
CAS:148372-04-7ChemIDplus