CHEBI:9085 - Selagine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Selagine
ChEBI ID CHEBI:9085
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H18N2O
Net Charge 0
Average Mass 242.317
Monoisotopic Mass 242.14191
InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-5,8,10H,6-7,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15+/m0/s1
InChIKey APLHEOBEIBHCHW-SEQYCRGISA-N
SMILES C\C=C1\[C@H]2CC(C)=C[C@]1(N)c1ccc(=O)[nH]c1C2
ChEBI Ontology
Outgoing Selagine (CHEBI:9085) is a quinolone (CHEBI:23765)
Synonym Source
Selagine KEGG COMPOUND
Manual Xrefs Databases
C00001956 KNApSAcK
C09897 KEGG COMPOUND
View more database links
Registry Number Type Source
116-28-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014