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CHEBI:7718 - Ochotensine

ChEBI IDCHEBI:7718
ChEBI NameOchotensine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H21NO4
Net Charge0
Average Mass351.402
Monoisotopic Mass351.14706
SMILESC=C1c2ccc3c(c2C[C@@]12c1cc(OC)c(O)cc1CCN2C)OCO3
InChIInChI=1S/C21H21NO4/c1-12-14-4-5-18-20(26-11-25-18)15(14)10-21(12)16-9-19(24-3)17(23)8-13(16)6-7-22(21)2/h4-5,8-9,23H,1,6-7,10-11H2,2-3H3/t21-/m0/s1
InChIKeyMDAWGFZRYVVBAS-NRFANRHFSA-N
ChEBI Ontology
Outgoing Relation(s)
Ochotensine (CHEBI:7718) is a isoquinolines (CHEBI:24922)
Synonym  Source
OchotensineKEGG COMPOUND
Manual XrefsDatabases
C09597KEGG COMPOUND
C00001896KNApSAcK
Registry NumbersSources
CAS:4959-88-0KEGG COMPOUND