CHEBI:228862 - Demethylcoclaurine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Demethylcoclaurine hydrochloride
ChEBI ID CHEBI:228862
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H17NO3.ClH
Net Charge 0
Average Mass 307.770
Monoisotopic Mass 307.09752
InChI InChI=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
InChIKey SWWQQSDRUYSMAR-UHFFFAOYSA-N
SMILES Cl.OC=1C=C2C(NCCC2=CC1O)CC3=CC=C(O)C=C3
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
145392 ChemSpider
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