CHEBI:188219 - DMXB-A

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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 DMXB-A
ChEBI ID CHEBI:188219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H20N2O2
Net Charge 0
Average Mass 308.381
Monoisotopic Mass 308.15248
InChI InChI=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+
InChIKey RPYWXZCFYPVCNQ-RVDMUPIBSA-N
SMILES O(C1=C(/C=C/2\CCCN=C2C=3C=CC=NC3)C=CC(OC)=C1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4470526 ChemSpider
C19905 KEGG COMPOUND
DB05708 KEGG DRUG
ZY7 PDBeChem
View more database links
Registry Number Type Source
148372-04-7 CAS Registry Number ChemIDplus