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CHEBI:63800 - 4-hydroxydebrisoquin

ChEBI IDCHEBI:63800
ChEBI Name4-hydroxydebrisoquin
Stars
DefinitionAn isoquinoline that is 3,4-dihydroisoquinoline bearing amidino and hydroxy substituent at positions 2 and 4 respectively.
Last Modified23 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC10H13N3O
Net Charge0
Average Mass191.234
Monoisotopic Mass191.10586
SMILESN=C(N)N1Cc2ccccc2C(O)C1
InChIInChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)
InChIKeyAKFURXZANOMQBD-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)
4-hydroxydebrisoquin (CHEBI:63800) has role metabolite (CHEBI:25212)
4-hydroxydebrisoquin (CHEBI:63800) is a carboxamidine (CHEBI:35359)
4-hydroxydebrisoquin (CHEBI:63800) is a isoquinolines (CHEBI:24922)
4-hydroxydebrisoquin (CHEBI:63800) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
4-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboximidamide
Synonym  Source
3,4-dihydro-4-hydroxy-2(1H)-IsoquinolinecarboximidamideHMDB
Manual XrefsDatabases
HMDB0006468HMDB
Registry NumbersSources
Reaxys:1533392Reaxys
CAS:59333-79-8ChemIDplus