CHEBI:31929 - Obliquine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Obliquine
ChEBI ID CHEBI:31929
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H28N2O5
Net Charge 0
Average Mass 448.512
Monoisotopic Mass 448.19982
InChI InChI=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
InChIKey MNZZTIOCKJEHEP-XVZHEKKHSA-N
SMILES CO[C@H]1C[C@@H]2N(C)C(=O)[C@H]3N(CCc4ccc(O)cc4)Cc4cc5OCOc5cc4[C@@]23C=C1
ChEBI Ontology
Outgoing Obliquine (CHEBI:31929) is a isoquinolines (CHEBI:24922)
Synonym Source
Obliquine KEGG COMPOUND
Manual Xref Database
C12183 KEGG COMPOUND
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Last Modified
28 July 2014