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CHEBI:18418 - (RS)-norcoclaurine

ChEBI IDCHEBI:18418
ChEBI Name(RS)-norcoclaurine
Stars
ASCII Name(RS)-norcoclaurine
Secondary ChEBI IDsCHEBI:361, CHEBI:11021, CHEBI:18714
Last Modified19 June 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H17NO3
Net Charge0
Average Mass271.316
Monoisotopic Mass271.12084
SMILESOc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1
InChIInChI=1S/C16H17NO3/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
InChIKeyWZRCQWQRFZITDX-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(RS)-norcoclaurine (CHEBI:18418) is a norcoclaurine (CHEBI:25591)
(RS)-norcoclaurine (CHEBI:18418) is conjugate base of (RS)-norcoclaurinium (CHEBI:58482)
Incoming Relation(s)
(RS)-norcoclaurinium (CHEBI:58482) is conjugate acid of (RS)-norcoclaurine (CHEBI:18418)
IUPAC Name 
1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Synonyms  Source
(R,S)-NorcoclaurineKEGG COMPOUND
NorcoclaurineKEGG COMPOUND
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolineKEGG COMPOUND
HigenamineChemIDplus
(+-)-DemethylcoclaurineChemIDplus
(+-)-NorcoclaurineChemIDplus
Manual XrefsDatabases
C06346KEGG COMPOUND
Registry NumbersSources
CAS:5843-65-2ChemIDplus
CAS:5843-65-2KEGG COMPOUND