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CHEBI:179177 - Salsolinol 1-carboxylate

ChEBI IDCHEBI:179177
ChEBI NameSalsolinol 1-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NO4
Net Charge0
Average Mass223.228
Monoisotopic Mass223.08446
SMILESC[C@]1(C(=O)O)NCCc2cc(O)c(O)cc21
InChIInChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyXHGLVMDBZZZXDP-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
Salsolinol 1-carboxylate (CHEBI:179177) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
Manual XrefsDatabases
5412232ChemSpider
HMDB0013068HMDB