CHEBI:6389 - Laudanosine

ChEBI IDCHEBI:6389
ChEBI NameLaudanosine
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Last Modified28 July 2014
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FormulaC21H27NO4
Net Charge0
Average Mass357.450
Monoisotopic Mass357.19401
SMILESCOc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC
InChIInChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-/m0/s1
InChIKeyKGPAYJZAMGEDIQ-KRWDZBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
Laudanosine (CHEBI:6389) is a isoquinolines (CHEBI:24922)
Laudanosine (CHEBI:6389) is conjugate base of (S)-laudanosine(1+) (CHEBI:195218)
Incoming Relation(s)
(S)-laudanosine(1+) (CHEBI:195218) is conjugate acid of Laudanosine (CHEBI:6389)
Synonym  Source
LaudanosineKEGG COMPOUND
Manual XrefsDatabases
C09558KEGG COMPOUND
C00001876KNApSAcK
C00028454KNApSAcK
Registry NumbersSources
CAS:2688-77-9KEGG COMPOUND