CHEBI:3452 - Casimiroin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Casimiroin
ChEBI ID CHEBI:3452
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:36551031, ZINC000000900156
Download Molfile XML SDF
Formula C12H11NO4
Net Charge 0
Average Mass 233.221
Monoisotopic Mass 233.06881
InChI InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3
InChIKey DPXXJCMMMXZVSW-UHFFFAOYSA-N
SMILES COc1cc(=O)n(C)c2c3OCOc3ccc12
ChEBI Ontology
Outgoing Casimiroin (CHEBI:3452) is a quinolines (CHEBI:26513)
Synonym Source
Casimiroin KEGG COMPOUND
Manual Xrefs Databases
C00002146 KNApSAcK
C10654 KEGG COMPOUND
HMDB0033349 HMDB
XM5 PDBeChem
View more database links
Registry Number Type Source
477-89-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014