EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179577 - Juzirine

ChEBI IDCHEBI:179577
ChEBI NameJuzirine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H15NO3
Net Charge0
Average Mass281.311
Monoisotopic Mass281.10519
SMILESCOc1cc2ccnc(Cc3ccc(O)cc3)c2cc1O
InChIInChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3
InChIKeyXUCRLUHFLBPVRO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Juzirine (CHEBI:179577) is a isoquinolines (CHEBI:24922)
IUPAC Name 
1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
Manual XrefsDatabases
HMDB0033954HMDB
2342227ChemSpider
Registry NumbersSources
CAS:64069-53-0ChemIDplus