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CHEBI:228862 - Demethylcoclaurine hydrochloride

ChEBI IDCHEBI:228862
ChEBI NameDemethylcoclaurine hydrochloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17NO3.HCl
Net Charge0
Average Mass307.777
Monoisotopic Mass307.09752
SMILESCl.Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1
InChIInChI=1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H
InChIKeySWWQQSDRUYSMAR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Demethylcoclaurine hydrochloride (CHEBI:228862) is a isoquinolines (CHEBI:24922)
IUPAC Name 
1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
Manual XrefsDatabases
145392ChemSpider