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CHEBI:190829 - N-Monodemethylolopatadine

ChEBI IDCHEBI:190829
ChEBI NameN-Monodemethylolopatadine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21NO3
Net Charge0
Average Mass323.392
Monoisotopic Mass323.15214
SMILESCNCC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21
InChIInChI=1S/C20H21NO3/c1-21-10-4-7-17-16-6-3-2-5-15(16)13-24-19-9-8-14(11-18(17)19)12-20(22)23/h2-3,5-9,11,21H,4,10,12-13H2,1H3,(H,22,23)/b17-7-
InChIKeyVQMJUHOJPCPUAM-IDUWFGFVSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
N-Monodemethylolopatadine (CHEBI:190829) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
2-[(11Z)-11-[3-(methylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Manual XrefsDatabases
HMDB0060846HMDB
30778597ChemSpider
Registry NumbersSources
CAS:113835-92-0ChemIDplus