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CHEBI:17729 - (S)-norcoclaurine

ChEBI IDCHEBI:17729
ChEBI Name(S)-norcoclaurine
Stars
ASCII Name(S)-norcoclaurine
Secondary ChEBI IDsCHEBI:435, CHEBI:11069, CHEBI:18792
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H17NO3
Net Charge0
Average Mass271.316
Monoisotopic Mass271.12084
SMILESOc1ccc(C[C@@H]2NCCc3cc(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/t14-/m0/s1
InChIKeyWZRCQWQRFZITDX-AWEZNQCLSA-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)
(S)-norcoclaurine (CHEBI:17729) is a norcoclaurine (CHEBI:25591)
(S)-norcoclaurine (CHEBI:17729) is conjugate base of (S)-norcoclaurinium(1+) (CHEBI:58253)
Incoming Relation(s)
(S)-norcoclaurinium(1+) (CHEBI:58253) is conjugate acid of (S)-norcoclaurine (CHEBI:17729)
IUPAC Name 
(1S)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Synonyms  Source
(S)-NorcoclaurineKEGG COMPOUND
6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolineKEGG COMPOUND
Manual XrefsDatabases
C06160KEGG COMPOUND
Registry NumbersSources
CAS:22672-77-1KEGG COMPOUND