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CHEBI:31929 - Obliquine

ChEBI IDCHEBI:31929
ChEBI NameObliquine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H28N2O5
Net Charge0
Average Mass448.519
Monoisotopic Mass448.19982
SMILES[H][C@@]12C(=O)N(C)[C@@]3([H])C[C@H](OC)C=C[C@@]13c1cc3c(cc1CN2CCc1ccc(O)cc1)OCO3
InChIInChI=1S/C26H28N2O5/c1-27-23-12-19(31-2)7-9-26(23)20-13-22-21(32-15-33-22)11-17(20)14-28(24(26)25(27)30)10-8-16-3-5-18(29)6-4-16/h3-7,9,11,13,19,23-24,29H,8,10,12,14-15H2,1-2H3/t19-,23+,24-,26+/m1/s1
InChIKeyMNZZTIOCKJEHEP-XVZHEKKHSA-N
ChEBI Ontology
Outgoing Relation(s)
Obliquine (CHEBI:31929) is a isoquinolines (CHEBI:24922)
Synonym  Source
ObliquineKEGG COMPOUND
Manual XrefsDatabases
C12183KEGG COMPOUND